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

• ChemBase ID: 403958
• Molecular Formular: C27H34N2O3
• Molecular Mass: 434.57046
• Monoisotopic Mass: 434.25694296
• SMILES: C1(NC(=O)c2c(OC3CCN(CC3)C3CCCC3)ccc(c2)OC)(CC1)c1ccccc1
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1(CC1)c1ccccc1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C27H34N2O3/c1-31-23-11-12-25(32-22-13-17-29(18-14-22)21-9-5-6-10-21)24(19-23)26(30)28-27(15-16-27)20-7-3-2-4-8-20/h2-4,7-8,11-12,19,21-22H,5-6,9-10,13-18H2,1H3,(H,28,30)
• InChIKey: NIKKQLMYQOPESZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.916423
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.854648
• LogD (pH = 7.4): 2.175164
• Log P: 4.227534
• Molar Refractivity: 126.5372 cm^3
• Polarizability: 49.229446 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.6
• LOG S: -6.02
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6