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    CAS 5368-28-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5368-28-5, Mls002693691, Mfcd01871361, 3-phenyl-piperazin-2-one, 3-phenyl-2-piperazinone, Nsc70401
    Molecular Formula
    C10H12N2O
    Molecular Weight
    176.21  g/mol
    InChI Key
    WKFFHKBGGZHQAX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-phenylpiperazin-2-one
    2.1.2 InChI
    InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
    2.1.3 InChI Key
    WKFFHKBGGZHQAX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNC(=O)C(N1)C2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5368-28-5

    2. Mls002693691

    3. Mfcd01871361

    4. 3-phenyl-piperazin-2-one

    5. 3-phenyl-2-piperazinone

    6. Nsc70401

    7. 3-phenyl-2-piperazinene

    8. 2-oxo-3-phenyl-piperazine

    9. 3-phenyl-piperazine-2-one

    10. 2-phenyl-3-keto Piperazine

    11. Nciopen2_000499

    12. Schembl596560

    13. Chembl1871830

    14. 2-oxo-3-phenylpiperazine

    15. Amy6453

    16. Dtxsid80290689

    17. Wkffhkbggzhqax-uhfffaoysa-n

    18. Hms3086c05

    19. Nsc-70401

    20. Akos011326145

    21. Ds-1796

    22. Sb11320

    23. Sb11321

    24. Smr001559636

    25. Sy042095

    26. Db-071733

    27. Cs-0046854

    28. En300-59956

    29. A25724

    30. J-513058

    31. Z926909642

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 176.21 g/mol
    Molecular Formula C10H12N2O
    XLogP30.6
    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 Count13
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1