Threo-phenyl-2-piperidyl acetamide

Chemistry, 2 End Use API, 11 Related Intermediates

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Also known as: 160707-37-9, 50288-62-5, (+/-)-threo-methylphenidate amide, Brx3q9gt5f, Hs1p4t2lcv, D-threo-alpha-phenyl-2-piperidineacetamide

Molecular Formula

C₁₃H₁₈N₂O

Molecular Weight

218.29 g/mol

InChI Key

LJLMNWPXAYKPGV-VXGBXAGGSA-N

FDA UNII

HS1P4T2LCV

1 2D Structure

Threo-phenyl-2-piperidyl acetamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide

2.1.2 InChI

InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)/t11-,12-/m1/s1

2.1.3 InChI Key

LJLMNWPXAYKPGV-VXGBXAGGSA-N

2.1.4 Canonical SMILES

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)N

2.1.5 Isomeric SMILES

C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

HS1P4T2LCV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 160707-37-9

2. 50288-62-5

3. (+/-)-threo-methylphenidate Amide

4. Brx3q9gt5f

5. Hs1p4t2lcv

6. D-threo-alpha-phenyl-2-piperidineacetamide

7. Chembl1253490

8. (d,l)-threo-alpha-phenyl-2-piperidineacetamide

9. (alphar,2r)-alpha-phenyl-2-piperidineacetamide

10. Alpha-phenyl-2-piperidineacetamide, Threo-(+)-

11. Alpha-phenyl-2-piperidineacetamide, Threo-(+/-)-

12. Unii-brx3q9gt5f

13. Unii-hs1p4t2lcv

14. Methylphenidate Impurity C

15. Schembl14453323

16. Dtxsid501284531

17. Zinc5934431

18. Bdbm50327105

19. D-threo-?-phenyl-2-piperidineacetamide

20. Threo-alpha-phenyl-2-piperidineacetamide, (+/-)-

21. (2rs)-2-phenyl-2-[(2rs)-piperidin-2-yl]acetamide

22. 2-piperidineacetamide, Alpha-phenyl-, (alphar,2r)-

23. (d,l)-threo-.alpha.-phenyl-2-piperidineacetamide

24. (.alpha.r,2r)-.alpha.-phenyl-2-piperidineacetamide

25. .alpha.-phenyl-2-piperidineacetamide, Threo-(+)-

26. 2-piperidineacetamide, Alpha-phenyl-, (r*,r*)-, (+/-)-

27. .alpha.-phenyl-2-piperidineacetamide, Threo-(+/-)-

28. Methylphenidate Hydrochloride Impurity D [ep Impurity]

29. Threo-.alpha.-phenyl-2-piperidineacetamide, (+/-)-

30. 2-piperidineacetamide, .alpha.-phenyl-, (.alpha.r,2r)-

31. 2-piperidineacetamide, .alpha.-phenyl-, (r*,r*)-, (+/-)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈N₂O
Molecular Weight	218.29 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	218.141913202 g/mol
Monoisotopic Mass	218.141913202 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Malladi Drugs & Pharmaceuticals Lim...

Malladi is a leader in Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl // USFDA, EDQM, ANSM, KFDA, and TGA inspected.

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Methylphenidate

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CAS Number

160707-37-9

Intermediate Name

d-threo-2-Phenyl-2-(piperidin-2-yl)...

About the Company

Malladi Drugs & Pharmaceuticals Ltd was founded in 1980 by microbiologist Mr. M L N Sastry. Within a few ...

Malladi Drugs & Pharmaceuticals Ltd was founded in 1980 by microbiologist Mr. M L N Sastry. Within a few years, Malladi established itself as a leader in manufacturing ephedrine and pseudoephedrine salts. Today, it is the leading manufacturer of APIs in the cough and cold segment. It also has a dominant presence in several therapeutic segments like antihistamines, anti-convulsants, anti-depressants and anxiolytics (CNS). Malladi exports its products to around 60 countries and over 85% of its revenue is generated from exports. Its manufacturing facilities have been approved by the FDA, EDQM, KFDA, TGA and various other regulatory agencies.

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ZCL CHEMICALS LTD

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India

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Methylphenidate

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CAS Number

50288-62-5

Intermediate Name

Threo phenyl-2-piperidyl acetamide

About the Company

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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