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    CAS 183288-43-9

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    CAS 183288-43-9
    Also known as: 183288-43-9, 1-boc-4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine, Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate, Tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate, 1-piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester, 4-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxylic acid tert-butyl ester
    Molecular Formula
    C20H26N2O5
    Molecular Weight
    374.4  g/mol
    InChI Key
    UGJBHBXXMCVEIH-UHFFFAOYSA-N
    1 2D Structure

    CAS 183288-43-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C20H26N2O5/c1-5-25-18(23)17-13-14-12-15(6-7-16(14)26-17)21-8-10-22(11-9-21)19(24)27-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3
    2.1.3 InChI Key
    UGJBHBXXMCVEIH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 183288-43-9

    2. 1-boc-4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine

    3. Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate

    4. Tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate

    5. 1-piperazinecarboxylic Acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl Ester

    6. 4-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxylic Acid Tert-butyl Ester

    7. Schembl1886952

    8. Dtxsid80457795

    9. Amy21586

    10. Bcp06220

    11. Cs-m1869

    12. Mfcd21607421

    13. Zinc38331188

    14. Akos016005437

    15. Ac-25887

    16. As-19181

    17. Da-18281

    18. Ft-0697867

    19. A880834

    20. Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-caboxylate

    21. Ethyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)benzofuran-2-carboxylate

    22. Tert-butyl4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine-1-carboxylate

    23. 1-piperazinecarboxylic Acid,4-(2-(ethoxycarbonyl)-5-benzofuranyl)-,tert-butyl Ester

    24. 1-piperazinecarboxylic Acid,4-[2-(ethoxycarbonyl)-5-benzofuranyl]-,1,1-dimethylethyl Ester

    25. Tert-butyl 4-[2-(ethoxycarbonyl)-1-benzofuran-5-yl]piperazine-1-carboxylate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 374.4 g/mol
    Molecular Formula C20H26N2O5
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass374.18417193 g/mol
    Monoisotopic Mass374.18417193 g/mol
    Topological Polar Surface Area72.2 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity539
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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