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    CAS 1096-03-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1096-03-3, 1-benzyl-4-(phenylamino)piperidine-4-carboxamide, 4-(phenylamino)-1-benzyl-4-piperidinecarboxamide, Yo1ip87ntp, 4-anilino-1-benzyl-4-piperidinecarboxamide, Mfcd00474726
    Molecular Formula
    C19H23N3O
    Molecular Weight
    309.4  g/mol
    InChI Key
    PUFOFCNHIWPPNN-UHFFFAOYSA-N
    FDA UNII
    YO1IP87NTP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-anilino-1-benzylpiperidine-4-carboxamide
    2.1.2 InChI
    InChI=1S/C19H23N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,21H,11-15H2,(H2,20,23)
    2.1.3 InChI Key
    PUFOFCNHIWPPNN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1(C(=O)N)NC2=CC=CC=C2)CC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    YO1IP87NTP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1096-03-3

    2. 1-benzyl-4-(phenylamino)piperidine-4-carboxamide

    3. 4-(phenylamino)-1-benzyl-4-piperidinecarboxamide

    4. Yo1ip87ntp

    5. 4-anilino-1-benzyl-4-piperidinecarboxamide

    6. Mfcd00474726

    7. Nsc-73749

    8. Nsc73749

    9. Einecs 214-141-2

    10. Unii-yo1ip87ntp

    11. Chemdiv3_014186

    12. Nciopen2_008848

    13. Oprea1_701669

    14. Oprea1_855958

    15. Mls003960116

    16. Chembl387884

    17. Qspl 402

    18. Schembl2996293

    19. Dtxsid70148988

    20. Hms1513e18

    21. Zinc265757

    22. Albb-006605

    23. Nsc 73749

    24. Stk504027

    25. Akos000265654

    26. Hs-0024

    27. Idi1_029984

    28. Smr001601276

    29. Sy084670

    30. Db-050184

    31. Cs-0321355

    32. Ft-0673694

    33. N-benzyl-4-anilino-4-piperidine Carboxamide

    34. F11784

    35. Ae-641/03239053

    36. Sr-01000596968

    37. J-002309

    38. Sr-01000596968-1

    39. 4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide

    40. 4-piperidinecarboxamide, 4-(phenylamino)-1-(phenylmethyl)-

    41. Remifentanil Hydrochloride Impurity I [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 309.4 g/mol
    Molecular Formula C19H23N3O
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass309.184112366 g/mol
    Monoisotopic Mass309.184112366 g/mol
    Topological Polar Surface Area58.4 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity378
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1