2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-oxopyrrolidin-3-yl)benzamide

• ChemBase ID: 730459
• Molecular Formular: C22H31N3O4
• Molecular Mass: 401.49924
• Monoisotopic Mass: 401.23145649
• SMILES: c1(C(=O)NC2C(=O)NCC2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1CCNC1=O)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H31N3O4/c1-28-17-6-7-20(18(14-17)21(26)24-19-8-11-23-22(19)27)29-16-9-12-25(13-10-16)15-4-2-3-5-15/h6-7,14-16,19H,2-5,8-13H2,1H3,(H,23,27)(H,24,26)
• InChIKey: ILWAYWQVLKVRMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-oxopyrrolidin-3-yl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-oxopyrrolidin-3-yl)benzamide
• Synonyms: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-(2-oxopyrrolidin-3-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.338114
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2640438
• LogD (pH = 7.4): -0.94350994
• Log P: 1.1088355
• Molar Refractivity: 110.269 cm^3
• Polarizability: 42.706074 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.13
• LOG S: -3.55
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6