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    CAS 25503-90-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 25503-90-6, 1-acetyl-4-piperidinecarboxylic acid, 1-acetylisonipecotic acid, N-acetylisonipecotic acid, 4-piperidinecarboxylic acid, 1-acetyl-, 1-acetyl-4-piperidine carboxylic acid
    Molecular Formula
    C8H13NO3
    Molecular Weight
    171.19  g/mol
    InChI Key
    WFCLWJHOKCQYOQ-UHFFFAOYSA-N
    FDA UNII
    G4N4ECA9RB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-acetylpiperidine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
    2.1.3 InChI Key
    WFCLWJHOKCQYOQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)N1CCC(CC1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    G4N4ECA9RB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 25503-90-6

    2. 1-acetyl-4-piperidinecarboxylic Acid

    3. 1-acetylisonipecotic Acid

    4. N-acetylisonipecotic Acid

    5. 4-piperidinecarboxylic Acid, 1-acetyl-

    6. 1-acetyl-4-piperidine Carboxylic Acid

    7. G4n4eca9rb

    8. N-acetyl-4-piperidinecarboxylic Acid

    9. N-acetylpiperidine-4-carboxylic Acid

    10. Mfcd00023706

    11. 1-acetyl-piperidine-4-carboxylic Acid

    12. Maybridge1_003128

    13. Einecs 247-049-6

    14. 1-acetylpiperidine-4-carboxylic Acid,

    15. Unii-g4n4eca9rb

    16. N-acetyl Isonipecotic Acid

    17. N-acetylisonipecotinic Acid

    18. 4-carboxypiperidineacetamide

    19. Schembl191353

    20. Hms550g04

    21. Zinc58130

    22. Dtxsid80180192

    23. Acetylpiperidine-4-carboxylic Acid

    24. 1-acetylpiperidin-4-carboxylic Acid

    25. 1-acetylpiperidine-4-carboxylicacid

    26. Amy32509

    27. 1_acetylpiperidine_4_carboxylic_acid

    28. 4-acetylpiperidine-1-carboxylic Acid

    29. Bbl022569

    30. Ccg-48266

    31. Stl170033

    32. L-acetyl-piperidine-4-carboxylic Acid

    33. Akos000264472

    34. Sb17852

    35. Ac-15315

    36. Bp-10288

    37. Sy007534

    38. 1-acetylpiperidine-4-carboxylic Acid, 97%

    39. Db-013081

    40. Cs-0011192

    41. Ft-0607294

    42. 5p-083

    43. 503a906

    44. Aq-358/42531503

    45. Q-103010

    46. Sr-01000637821-1

    47. F2190-0008

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 171.19 g/mol
    Molecular Formula C8H13NO3
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass171.08954328 g/mol
    Monoisotopic Mass171.08954328 g/mol
    Topological Polar Surface Area57.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity195
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1