2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(3-ethoxypropyl)-5-methoxybenzamide

• ChemBase ID: 433635
• Molecular Formular: C23H36N2O4
• Molecular Mass: 404.54294
• Monoisotopic Mass: 404.26750764
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H36N2O4/c1-3-28-16-6-13-24-23(26)21-17-20(27-2)9-10-22(21)29-19-11-14-25(15-12-19)18-7-4-5-8-18/h9-10,17-19H,3-8,11-16H2,1-2H3,(H,24,26)
• InChIKey: SRCZNFCJVFQYKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(3-ethoxypropyl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(3-ethoxypropyl)-5-methoxybenzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(3-ethoxypropyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.727469
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8894686
• LogD (pH = 7.4): 0.43076727
• Log P: 2.4835198
• Molar Refractivity: 115.4813 cm^3
• Polarizability: 44.7414 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.19
• LOG S: -4.85
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7