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    Chemistry

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    Also known as: 61086-13-3, Einecs 262-597-6, Dtxsid30209963, N-[4-(methoxymethyl)-1-(phenylmethyl)-4-piperidinyl]-n-phenylpropanamide ethanedioate
    Molecular Formula
    C25H32N2O6
    Molecular Weight
    456.5  g/mol
    InChI Key
    AFLKBESYVTWUMU-UHFFFAOYSA-N
    CAS 61086-13-3
    1 2D Structure

    CAS 61086-13-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;oxalic acid
    2.1.2 InChI
    InChI=1S/C23H30N2O2.C2H2O4/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20;3-1(4)2(5)6/h4-13H,3,14-19H2,1-2H3;(H,3,4)(H,5,6)
    2.1.3 InChI Key
    AFLKBESYVTWUMU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)COC.C(=O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 61086-13-3

    2. Einecs 262-597-6

    3. Dtxsid30209963

    4. N-[4-(methoxymethyl)-1-(phenylmethyl)-4-piperidinyl]-n-phenylpropanamide Ethanedioate

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 456.5 g/mol
    Molecular Formula C25H32N2O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass456.22603674 g/mol
    Monoisotopic Mass456.22603674 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity519
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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