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

• ChemBase ID: 430803
• Molecular Formular: C22H31N3O4
• Molecular Mass: 401.49924
• Monoisotopic Mass: 401.23145649
• SMILES: C(=O)(NC1C(=O)NCC1)c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)NC1CCNC1=O
• InChI: InChI=1S/C22H31N3O4/c1-28-20-14-15(21(26)24-18-8-11-23-22(18)27)6-7-19(20)29-17-9-12-25(13-10-17)16-4-2-3-5-16/h6-7,14,16-18H,2-5,8-13H2,1H3,(H,23,27)(H,24,26)
• InChIKey: OMPZSLRFYGVYMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.326856
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.253976
• LogD (pH = 7.4): -0.90708464
• Log P: 1.1088355
• Molar Refractivity: 110.269 cm^3
• Polarizability: 42.705788 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: 0.34
• LOG S: -3.73
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 6