1-cyclopentyl-N-[3-(1H-indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 533532
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCn1ccc2c1cccc2)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C21H27N3O2/c25-20-14-17(15-24(20)18-7-2-3-8-18)21(26)22-11-5-12-23-13-10-16-6-1-4-9-19(16)23/h1,4,6,9-10,13,17-18H,2-3,5,7-8,11-12,14-15H2,(H,22,26)
• InChIKey: ZQHQSKBKTLFAGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[3-(1H-indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[3-(indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[3-(1H-indol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.952438
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9782726
• LogD (pH = 7.4): 1.9782727
• Log P: 1.9782727
• Molar Refractivity: 101.3102 cm^3
• Polarizability: 40.434807 Å^3
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.42
• LOG S: -3.84
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6