CAS 85908-96-9

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1 End Use APIs
100 Related Intermediates

Chemistry

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Also known as: 85908-96-9, N-boc-2-piperidone, 1-boc-2-piperidone, 1-n-boc-2-piperidone, N-boc-piperidone, N-(tert-butoxycarbonyl)piperidin-2-one

Molecular Formula

C₁₀H₁₇NO₃

Molecular Weight

199.25 g/mol

InChI Key

ULMHMJAEGZPQRY-UHFFFAOYSA-N

1 2D Structure

CAS 85908-96-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 2-oxopiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3

2.1.3 InChI Key

ULMHMJAEGZPQRY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCCCC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85908-96-9

2. N-boc-2-piperidone

3. 1-boc-2-piperidone

4. 1-n-boc-2-piperidone

5. N-boc-piperidone

6. N-(tert-butoxycarbonyl)piperidin-2-one

7. Mfcd02179046

8. 1-(tert-butoxycarbonyl)-2-piperidone

9. Tert-butyl 2-oxo-1-piperidinecarboxylate

10. 1-piperidinecarboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

11. Boc-piperidinone

12. N-boc Piperidone

13. 1-boc-piperidone

14. N-boc Piperidinone

15. N-boc-piperidinone

16. 1-boc-piperidinone

17. 1-boc-2-oxopiperidine

18. N-t-butoxycarbonylpiperidone

19. Schembl42476

20. N-tert-butoxycarbonyl Piperidone

21. N-tert-butoxycarbonylvalerolactam

22. N-tert-butyloxycarbonylpiperidone

23. 1-n-boc-2-piperidone, 97%

24. Chebi:59556

25. Dtxsid40428825

26. N-(tert-butoxycarbonyl)piperidone

27. Albb-009361

28. Bcp23390

29. Zinc5240121

30. Ab3494

31. Stk505866

32. Akos005146158

33. Ac-7703

34. Cs-w008882

35. Gs-3288

36. Sb42947

37. N-tert-butoxycarbonyl-delta-valerolactam

38. 1-(tert-butoxycarbonyl)piperidine-2-one

39. Sy017440

40. Db-031473

41. Am20110234

42. B3788

43. Bb 0255193

44. Ft-0601676

45. En300-67592

46. 1-(tert-butoxycarbonyl)-1-azacyclohexan-2-one

47. 1,1-dimethylethyl 2-oxo-1-piperidinecarboxylate

48. 2-oxopiperidine-1-carboxylic Acid Tert-butyl Ester

49. 908b969

50. 2-oxo-1-piperidinecarboxylic Acid Tert-butyl Ester

51. 2-oxo-piperidine-1-carboxylic Acid Tert-butyl Ester

52. W-203958

53. Q27126776

54. Z1268703719

55. 2-oxo-1-piperidinecarboxylic Acid, 1,1-dimethylethyl Ester

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₃
Molecular Weight	199.25 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	199.12084340 g/mol
Monoisotopic Mass	199.12084340 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	242
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