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    CAS 163521-20-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 163521-20-8, Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate, Ethyl 5-(1-piperazinyl)benzofuran-2-carboxylate, 2uzk946gr5, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, Mfcd18252307
    Molecular Formula
    C15H18N2O3
    Molecular Weight
    274.31  g/mol
    InChI Key
    ZKLDXJIVWKPASZ-UHFFFAOYSA-N
    FDA UNII
    2UZK946GR5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate
    2.1.2 InChI
    InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3
    2.1.3 InChI Key
    ZKLDXJIVWKPASZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3
    2.2 Other Identifiers
    2.2.1 UNII
    2UZK946GR5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 163521-20-8

    2. Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate

    3. Ethyl 5-(1-piperazinyl)benzofuran-2-carboxylate

    4. 2uzk946gr5

    5. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester

    6. Mfcd18252307

    7. 5-piperazin-1-yl-benzofuran-2-carboxylic Acid Ethyl Ester

    8. Ethyl 5-(piperazin-1-yl)-1-benzofuran-2-carboxylate

    9. 5-(1-piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester

    10. 5-(1-piperazinyl)benzofuran-2-carboxylic Acid Ethyl Ester

    11. Ethyl5-(piperazin-1-yl)benzofuran-2-carboxylate

    12. Unii-2uzk946gr5

    13. Schembl1888638

    14. 2-benzofurancarboxylic Acid,5-(1-piperazinyl)-,ethyl Ester

    15. Dtxsid60460666

    16. Amy21612

    17. Bcp07735

    18. Cs-m1445

    19. Zinc22010758

    20. Akos015924745

    21. Ac-26762

    22. As-20016

    23. Da-18261

    24. Sy024791

    25. Ft-0745262

    26. L10031

    27. A882565

    28. Ethyl 5-(1-piperazinyl)-benzofuran-2-carboxylate

    29. Ethyl 5-(piperazine-1-yl)benzofuran-2-carboxylate

    30. A1-00094

    31. Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 274.31 g/mol
    Molecular Formula C15H18N2O3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass274.13174244 g/mol
    Monoisotopic Mass274.13174244 g/mol
    Topological Polar Surface Area54.7 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity344
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1