CAS 33953-37-6

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Also known as: 33953-37-6, N-(piperidin-4-yl)benzamide, N-piperidin-4-yl-benzamide, N-(4-piperidyl)benzamide, N-4-piperidylbenzamide, 4-benzamidopiperidine

Molecular Formula

C₁₂H₁₆N₂O

Molecular Weight

204.27 g/mol

InChI Key

JMQDNLCNCDSHNC-UHFFFAOYSA-N

1 2D Structure

CAS 33953-37-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-piperidin-4-ylbenzamide

2.1.2 InChI

InChI=1S/C12H16N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-5,11,13H,6-9H2,(H,14,15)

2.1.3 InChI Key

JMQDNLCNCDSHNC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1NC(=O)C2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 33953-37-6

2. N-(piperidin-4-yl)benzamide

3. N-piperidin-4-yl-benzamide

4. N-(4-piperidyl)benzamide

5. N-4-piperidylbenzamide

6. 4-benzamidopiperidine

7. Benzamide, N-4-piperidinyl-

8. 4-benzimido Piperidine

9. N-(4-piperidinyl)benzamide

10. N-4-piperidinylbenzamide

11. Einecs 251-759-1

12. 4 -benzamidopiperidine

13. 4-ben-zamidopiperidine

14. 4-benzamido-piperidine

15. 4-benzoylaminopiperidine

16. Oprea1_555073

17. Schembl594567

18. N-(4-piperidinyl)benzamide #

19. Dtxsid70955533

20. Zinc4290748

21. Stl183881

22. Akos000200755

23. Fs-1814

24. N-piperidin-4-yl-benzamide, Aldrichcpr

25. Ac-13181

26. N-(piperidin-4-yl)benzenecarboximidic Acid

27. Db-048532

28. B3025

29. Cs-0108681

30. Ft-0639139

31. En300-24697

32. D76846

33. 953p376

34. J-523761

35. Z203240862

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆N₂O
Molecular Weight	204.27 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	204.126263138 g/mol
Monoisotopic Mass	204.126263138 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	206
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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