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

• ChemBase ID: 342069
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: c1(C(=O)NC2CC2)c(cc(cc1)OC)OC1CCN(CC1)CCCc1ccccc1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)CCCc1ccccc1)C(=O)NC1CC1
• InChI: InChI=1S/C25H32N2O3/c1-29-22-11-12-23(25(28)26-20-9-10-20)24(18-22)30-21-13-16-27(17-14-21)15-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,18,20-21H,5,8-10,13-17H2,1H3,(H,26,28)
• InChIKey: QGSLJNRMOWOMJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.335773
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5000864
• LogD (pH = 7.4): 2.1101224
• Log P: 3.6822932
• Molar Refractivity: 119.5904 cm^3
• Polarizability: 46.20154 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.74
• LOG S: -5.42
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8