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    CAS 160707-37-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 160707-37-9, 50288-62-5, (+/-)-threo-methylphenidate amide, Brx3q9gt5f, Hs1p4t2lcv, D-threo-alpha-phenyl-2-piperidineacetamide
    Molecular Formula
    C13H18N2O
    Molecular Weight
    218.29  g/mol
    InChI Key
    LJLMNWPXAYKPGV-VXGBXAGGSA-N
    FDA UNII
    HS1P4T2LCV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
    2.1.2 InChI
    InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)/t11-,12-/m1/s1
    2.1.3 InChI Key
    LJLMNWPXAYKPGV-VXGBXAGGSA-N
    2.1.4 Canonical SMILES
    C1CCNC(C1)C(C2=CC=CC=C2)C(=O)N
    2.1.5 Isomeric SMILES
    C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    HS1P4T2LCV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 160707-37-9

    2. 50288-62-5

    3. (+/-)-threo-methylphenidate Amide

    4. Brx3q9gt5f

    5. Hs1p4t2lcv

    6. D-threo-alpha-phenyl-2-piperidineacetamide

    7. Chembl1253490

    8. (d,l)-threo-alpha-phenyl-2-piperidineacetamide

    9. (alphar,2r)-alpha-phenyl-2-piperidineacetamide

    10. Alpha-phenyl-2-piperidineacetamide, Threo-(+)-

    11. Alpha-phenyl-2-piperidineacetamide, Threo-(+/-)-

    12. Unii-brx3q9gt5f

    13. Unii-hs1p4t2lcv

    14. Methylphenidate Impurity C

    15. Schembl14453323

    16. Dtxsid501284531

    17. Zinc5934431

    18. Bdbm50327105

    19. D-threo-?-phenyl-2-piperidineacetamide

    20. Threo-alpha-phenyl-2-piperidineacetamide, (+/-)-

    21. (2rs)-2-phenyl-2-[(2rs)-piperidin-2-yl]acetamide

    22. 2-piperidineacetamide, Alpha-phenyl-, (alphar,2r)-

    23. (d,l)-threo-.alpha.-phenyl-2-piperidineacetamide

    24. (.alpha.r,2r)-.alpha.-phenyl-2-piperidineacetamide

    25. .alpha.-phenyl-2-piperidineacetamide, Threo-(+)-

    26. 2-piperidineacetamide, Alpha-phenyl-, (r*,r*)-, (+/-)-

    27. .alpha.-phenyl-2-piperidineacetamide, Threo-(+/-)-

    28. Methylphenidate Hydrochloride Impurity D [ep Impurity]

    29. Threo-.alpha.-phenyl-2-piperidineacetamide, (+/-)-

    30. 2-piperidineacetamide, .alpha.-phenyl-, (.alpha.r,2r)-

    31. 2-piperidineacetamide, .alpha.-phenyl-, (r*,r*)-, (+/-)-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 218.29 g/mol
    Molecular Formula C13H18N2O
    XLogP3-0.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass218.141913202 g/mol
    Monoisotopic Mass218.141913202 g/mol
    Topological Polar Surface Area55.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity236
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1