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

• ChemBase ID: 632691
• Molecular Formular: C22H33N3O3
• Molecular Mass: 387.51572
• Monoisotopic Mass: 387.25219193
• SMILES: C(=O)(c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC)NC1CCNC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)NC1CCNC1
• InChI: InChI=1S/C22H33N3O3/c1-27-21-14-16(22(26)24-17-8-11-23-15-17)6-7-20(21)28-19-9-12-25(13-10-19)18-4-2-3-5-18/h6-7,14,17-19,23H,2-5,8-13,15H2,1H3,(H,24,26)
• InChIKey: LBWREEQSGNUHOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.783761
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.89815
• LogD (pH = 7.4): -3.129998
• Log P: 1.6975261
• Molar Refractivity: 110.1148 cm^3
• Polarizability: 43.0034 Å^3
• Polar Surface Area: 62.83 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: 2.26
• LOG S: -3.96
• Polar Surface Area: 62.83 Å^2
• Rotatable Bonds: 6