1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

2.1.2 InChI

InChI=1S/C14H22N4O/c1-16-7-9-18(10-8-16)11-14(19)17(2)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3

2.1.3 InChI Key

LBWNQLVDYPNHAV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 262368-30-9

2. 1-piperazineacetamide, N-(4-aminophenyl)-n,4-dimethyl-

3. N-(4-aminophenyl)-n,4-dimethyl-1-piperazineacetamide

4. Mfcd12457658

5. N-(4-aminophenyl)-n-methyl-2-(4-methyl-1-piperazinyl)acetamide

6. Schembl436539

7. Amy532

8. Dtxsid30620235

9. Bdbm492925

10. Bcp08567

11. Cs-m0380

12. Us10981896, Compound 14

13. Zinc37272041

14. Akos005871566

15. Ds-4591

16. Sb17827

17. Ac-25030

18. Da-42998

19. Sy114445

20. Ft-0743080

21. En300-68465

22. A852377

23. 4-[n-(n-methylpiperazinomethylcarbonyl)-n-methyl-amino]-aniline

24. N-[(4-methyl-piperazin-1-yl)-methylcarbonyl]-n-methyl-p-phenylendiamine

25. N-[(4-methyl-piperazin-1-yl)-methylcarbonyl]-n-methyl-p-phenylenediamine

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂N₄O
Molecular Weight	262.35 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	262.17936134 g/mol
Monoisotopic Mass	262.17936134 g/mol
Topological Polar Surface Area	52.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	294
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

CAS 262368-30-9

CAS 262368-30-9

CHEMISTRY

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