3-(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)-N-(2-methoxyethyl)propanamide

• ChemBase ID: 733839
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: c1(c(OC2CCCC2)cccc1)CN1CCC(CCC(=O)NCCOC)CC1
• Canonical SMILES: COCCNC(=O)CCC1CCN(CC1)Cc1ccccc1OC1CCCC1
• InChI: InChI=1S/C23H36N2O3/c1-27-17-14-24-23(26)11-10-19-12-15-25(16-13-19)18-20-6-2-5-9-22(20)28-21-7-3-4-8-21/h2,5-6,9,19,21H,3-4,7-8,10-18H2,1H3,(H,24,26)
• InChIKey: CNUCDKXCDWXUMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)-N-(2-methoxyethyl)propanamide
• IUPAC Traditional name: 3-(1-{[2-(cyclopentyloxy)phenyl]methyl}piperidin-4-yl)-N-(2-methoxyethyl)propanamide
• Synonyms: 3-{1-[2-(cyclopentyloxy)benzyl]-4-piperidinyl}-N-(2-methoxyethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.744211
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20003591
• LogD (pH = 7.4): 1.9200331
• Log P: 3.187712
• Molar Refractivity: 112.7975 cm^3
• Polarizability: 44.27756 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.6
• LOG S: -4.03
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9