Cas no 868965-14-4 (ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate)

Ethyl 2-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is a synthetic heterocyclic compound featuring a cyclopentathiophene core functionalized with an ethyl carboxylate group and a substituted dioxopiperazine acetamide moiety. Its structural complexity confers unique physicochemical properties, including enhanced stability and potential for selective molecular interactions. The presence of both electron-rich thiophene and electron-deficient dioxopiperazine moieties suggests interesting electronic characteristics, making it valuable for pharmaceutical research, particularly in drug design targeting enzyme inhibition or receptor modulation. The ethyl ester group improves solubility in organic media, facilitating synthetic manipulations. This compound's multifunctional architecture enables diverse derivatization pathways, serving as a versatile intermediate for developing bioactive molecules with tailored pharmacological profiles.
ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate structure
868965-14-4 structure
Product Name:ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate
CAS No:868965-14-4
MF:C18H23N3O5S
MW:393.457323312759
CID:6589661
PubChem ID:7190229
Update Time:2025-07-02

ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate
    • 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-(4-ethyl-2,3-dioxo-1-piperazinyl)acetyl]amino]-5,6-dihydro-, ethyl ester
    • F1827-0066
    • AKOS024268790
    • ethyl 2-(2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
    • 868965-14-4
    • ethyl 2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
    • Inchi： 1S/C18H23N3O5S/c1-3-20-8-9-21(17(24)16(20)23)10-13(22)19-15-14(18(25)26-4-2)11-6-5-7-12(11)27-15/h3-10H2,1-2H3,(H,19,22)
    • InChI Key： NRMIAVASMWTRAS-UHFFFAOYSA-N
    • SMILES： C12CCCC=1C(C(OCC)=O)=C(NC(CN1CCN(CC)C(=O)C1=O)=O)S2

Computed Properties

  • Exact Mass: 393.13584202g/mol
  • Monoisotopic Mass: 393.13584202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 628
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 124?2

Experimental Properties

  • Density: 1.353±0.06 g/cm3(Predicted)
  • pka: 12.35±0.20(Predicted)

ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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ethyl 2-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
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F1827-0066-2mg
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F1827-0066-5mg
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F1827-0066-10mg
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ethyl 2-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamido-4H,5H,6H-cyclopentabthiophene-3-carboxylate Related Literature

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