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    Chemistry

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    Also known as: Schembl2213586, Ft-0743220
    Molecular Formula
    C14H18N2O
    Molecular Weight
    230.31  g/mol
    InChI Key
    AUQPCILBQAUQBW-UHFFFAOYSA-N
    CAS 741235-48-3
    1 2D Structure

    CAS 741235-48-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C14H18N2O/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14/h1-4,10,12,15H,5-9H2,(H,16,17)
    2.1.3 InChI Key
    AUQPCILBQAUQBW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C2CC3=CC=CC=C3NC2=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl2213586

    2. Ft-0743220

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 230.31 g/mol
    Molecular Formula C14H18N2O
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.1
    Heavy Atom Count17
    Formal Charge0
    Complexity286
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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