Cube Research Laboratories

CAS 183288-46-2

Chemistry, 2 End Use API, 21 Related Intermediates

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Also known as: 183288-46-2, 1-(2-aminocarbonylbenzofuran-5-yl)piperazine, 5-(1-piperazinyl)benzofuran-2-carboxamide, 2-benzofurancarboxamide, 5-(1-piperazinyl)-, 5-piperazin-1-yl-1-benzofuran-2-carboxamide, B67dwq6935

Molecular Formula

C₁₃H₁₅N₃O₂

Molecular Weight

245.28 g/mol

InChI Key

LLRGOAFFRRUFBM-UHFFFAOYSA-N

FDA UNII

B67DWQ6935

1 2D Structure

CAS 183288-46-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-piperazin-1-yl-1-benzofuran-2-carboxamide

2.1.2 InChI

InChI=1S/C13H15N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-8,15H,3-6H2,(H2,14,17)

2.1.3 InChI Key

LLRGOAFFRRUFBM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=CC3=C(C=C2)OC(=C3)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

B67DWQ6935

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 183288-46-2

2. 1-(2-aminocarbonylbenzofuran-5-yl)piperazine

3. 5-(1-piperazinyl)benzofuran-2-carboxamide

4. 2-benzofurancarboxamide, 5-(1-piperazinyl)-

5. 5-piperazin-1-yl-1-benzofuran-2-carboxamide

6. B67dwq6935

7. 5-piperazin-1-ylbenzofuran-2-carboxamide

8. Unii-b67dwq6935

9. Schembl1322886

10. Dtxsid60431492

11. Bcp06221

12. Cs-m1252

13. Mfcd20486139

14. Zinc33975946

15. Akos015998995

16. Ac-25888

17. As-18904

18. Da-18283

19. Am20120671

20. Ft-0697868

21. 5-(piperazin-1-yl)-1-benzofuran-2-carboxamide

22. J-502932

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅N₃O₂
Molecular Weight	245.28 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	245.116426730 g/mol
Monoisotopic Mass	245.116426730 g/mol
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

163521-09-3

End Use API

Vilazodone

About the Company

CRL’ is a nascent yet dynamically growing centre for metallurgical operation, Process synthesis, Resear...

CRL’ is a nascent yet dynamically growing centre for metallurgical operation, Process synthesis, Research & Development and Manufacturing hub. We form a part of the group company specializing in API sales and marketing and analytical services. At Cube Research Laboratories our array of activities includes Metal recovery, separation, Manufacturing of Intermediates, Synthesis of Impurities, Key raw materials, catalyst synthesis and Specialty chemicals. We offer intermediates and impurities from a standard list as well as custom synthesize them for our clients, maintaining confidentiality.

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