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    5-Piperazin-1-Ylbenzofuran-2-Carboxamide

    PharmaCompass
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    2D Structure
    Also known as: 183288-46-2, 1-(2-aminocarbonylbenzofuran-5-yl)piperazine, 5-(1-piperazinyl)benzofuran-2-carboxamide, 2-benzofurancarboxamide, 5-(1-piperazinyl)-, 5-piperazin-1-yl-1-benzofuran-2-carboxamide, B67dwq6935
    Molecular Formula
    C13H15N3O2
    Molecular Weight
    245.28  g/mol
    InChI Key
    LLRGOAFFRRUFBM-UHFFFAOYSA-N
    FDA UNII
    B67DWQ6935
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-piperazin-1-yl-1-benzofuran-2-carboxamide
    2.1.2 InChI
    InChI=1S/C13H15N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-8,15H,3-6H2,(H2,14,17)
    2.1.3 InChI Key
    LLRGOAFFRRUFBM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1)C2=CC3=C(C=C2)OC(=C3)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    B67DWQ6935
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 183288-46-2

    2. 1-(2-aminocarbonylbenzofuran-5-yl)piperazine

    3. 5-(1-piperazinyl)benzofuran-2-carboxamide

    4. 2-benzofurancarboxamide, 5-(1-piperazinyl)-

    5. 5-piperazin-1-yl-1-benzofuran-2-carboxamide

    6. B67dwq6935

    7. 5-piperazin-1-ylbenzofuran-2-carboxamide

    8. Unii-b67dwq6935

    9. Schembl1322886

    10. Dtxsid60431492

    11. Bcp06221

    12. Cs-m1252

    13. Mfcd20486139

    14. Zinc33975946

    15. Akos015998995

    16. Ac-25888

    17. As-18904

    18. Da-18283

    19. Am20120671

    20. Ft-0697868

    21. 5-(piperazin-1-yl)-1-benzofuran-2-carboxamide

    22. J-502932

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 245.28 g/mol
    Molecular Formula C13H15N3O2
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass245.116426730 g/mol
    Monoisotopic Mass245.116426730 g/mol
    Topological Polar Surface Area71.5 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1