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    CAS 85908-96-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 199.25 g/mol
    Molecular Formula C10H17NO3
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass199.12084340 g/mol
    Monoisotopic Mass199.12084340 g/mol
    Topological Polar Surface Area46.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity242
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1