N-(3-ethoxypropyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 842588
• Molecular Formular: C25H34N2O3
• Molecular Mass: 410.54906
• Monoisotopic Mass: 410.25694296
• SMILES: C(=O)(c1ccc(OC2CCN(CC2)CCc2ccccc2)cc1)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)c1ccc(cc1)OC1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C25H34N2O3/c1-2-29-20-6-16-26-25(28)22-9-11-23(12-10-22)30-24-14-18-27(19-15-24)17-13-21-7-4-3-5-8-21/h3-5,7-12,24H,2,6,13-20H2,1H3,(H,26,28)
• InChIKey: MSOFNUNRJIQRAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(3-ethoxypropyl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(3-ethoxypropyl)-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.063175
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18553331
• LogD (pH = 7.4): 1.8451695
• Log P: 3.2996235
• Molar Refractivity: 121.9725 cm^3
• Polarizability: 46.94665 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.95
• LOG S: -5.6
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9