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  • [Synonyms]
    LS-110324
    (Methylenedioxy-3',4'phenyl)-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French]
    1-((1-(1,3-Benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl)carbonyl)piperazine hydrochloride
    Piperazine, 1-((1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl)carbonyl)-, hydrochloride
    38160-25-7

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight353.8007 [g/mol]
    Molecular FormulaC16H20ClN3O4
    H-Bond Donor2
    H-Bond Acceptor5
    Rotatable Bond Count2
    Tautomer Count2
    Exact Mass353.114234
    MonoIsotopic Mass353.114234
    Topological Polar Surface Area71.1
    Heavy Atom Count24
    Formal Charge0
    Complexity480
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
    hydrochloride
    Canonical SMILES: C1CN(CCN1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4.Cl
    InChI: InChI=1/C16H19N3O4.ClH/c20-15-7-11(16(21)18-5-3-17-4-6-18)9-19(15)12-1-
    2-13-14(8-12)23-10-22-13;/h1-2,8,11,17H,3-7,9-10H2;1H



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