4-methoxy-N-(2-methoxyethyl)-2-{[1-(3-phenylpropyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 562416
• Molecular Formular: C25H34N2O4
• Molecular Mass: 426.54846
• Monoisotopic Mass: 426.25185758
• SMILES: c1(c(cc(cc1)OC)OC1CCN(CC1)CCCc1ccccc1)C(=O)NCCOC
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)CCCc1ccccc1)C(=O)NCCOC
• InChI: InChI=1S/C25H34N2O4/c1-29-18-14-26-25(28)23-11-10-22(30-2)19-24(23)31-21-12-16-27(17-13-21)15-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21H,6,9,12-18H2,1-2H3,(H,26,28)
• InChIKey: BMSLEOZLRYPXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198498
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.012479161
• LogD (pH = 7.4): 1.5975351
• Log P: 3.1697533
• Molar Refractivity: 123.4227 cm^3
• Polarizability: 47.619717 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.45
• LOG S: -4.85
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 9