CAS 39546-32-2

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Also known as: Piperidine-4-carboxamide, Isonipecotamide, 39546-32-2, Hexahydroisonicotinamide, 4-carbamoylpiperidine, 4-piperidine carboxamide

Molecular Formula

C₆H₁₂N₂O

Molecular Weight

128.17 g/mol

InChI Key

DPBWFNDFMCCGGJ-UHFFFAOYSA-N

FDA UNII

CZE2810T4X

1 2D Structure

CAS 39546-32-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

piperidine-4-carboxamide

2.1.2 InChI

InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

2.1.3 InChI Key

DPBWFNDFMCCGGJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C(=O)N

2.2 Other Identifiers

2.2.1 UNII

CZE2810T4X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Piperidine-4-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. Piperidine-4-carboxamide

2. Isonipecotamide

3. 39546-32-2

4. Hexahydroisonicotinamide

5. 4-carbamoylpiperidine

6. 4-piperidine Carboxamide

7. Piperidine-4-carboxylic Acid Amide

8. Mfcd00038012

9. Cze2810t4x

10. Nsc-82318

11. 4-piperdinecarboxamide

12. Iso Nipecotamide

13. Iso-nipecotamide

14. Piperidine-4-carboxylicacidamide

15. Nsc82318

16. Einecs 254-501-6

17. Nsc 82318

18. 4-carboxamidopiperidine

19. Isonipecotic Acid Amide

20. 4-piperidine-carboxamide

21. 4-aminocarbonylpiperidine

22. 4-(aminocarbonyl)piperidine

23. Schembl1298

24. Unii-cze2810t4x

25. Piperidin-4-carboxylic Amide

26. 4-piperidylcarboxamide

27. 4-piperidinecarboxamide, 97%

28. Dtxsid7068182

29. Schembl12461666

30. Chebi:166563

31. Act04822

32. Albb-025738

33. Bcp18799

34. Str01101

35. Zinc3860530

36. Ac-539

37. Stl183252

38. Akos000119354

39. Cs-w013464

40. Pb25917

41. Bp-11768

42. Sy005311

43. Ts-01685

44. Db-013239

45. A6617

46. Am20100043

47. Bb 0256894

48. Ft-0627432

49. I0255

50. W-111734

51. Q63392690

52. F2190-0334

53. V5y

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂N₂O
Molecular Weight	128.17 g/mol
XLogP3	-1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.094963011 g/mol
Monoisotopic Mass	128.094963011 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
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