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    CAS 799796-66-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 799796-66-0, 1-methyl-2-oxo-3-phenylpiperazine, Piperazinone, 1-methyl-3-phenyl- (9ci), Schembl6068770, Dtxsid10461209, Ghforxsvfvcfsn-uhfffaoysa-n
    Molecular Formula
    C11H14N2O
    Molecular Weight
    190.24  g/mol
    InChI Key
    GHFORXSVFVCFSN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-3-phenylpiperazin-2-one
    2.1.2 InChI
    InChI=1S/C11H14N2O/c1-13-8-7-12-10(11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
    2.1.3 InChI Key
    GHFORXSVFVCFSN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCNC(C1=O)C2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 799796-66-0

    2. 1-methyl-2-oxo-3-phenylpiperazine

    3. Piperazinone, 1-methyl-3-phenyl- (9ci)

    4. Schembl6068770

    5. Dtxsid10461209

    6. Ghforxsvfvcfsn-uhfffaoysa-n

    7. 1-methyl(phenyl)-piperazin-2-one

    8. Piperazinone, 1-methyl-3-phenyl-

    9. Cs-b1169

    10. Piperazinone,1-methyl-3-phenyl-(9ci)

    11. Db-277788

    12. En300-6766510

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 190.24 g/mol
    Molecular Formula C11H14N2O
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area32.3
    Heavy Atom Count14
    Formal Charge0
    Complexity211
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1