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

• ChemBase ID: 484414
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: C1(NC(=O)c2cc(OC3CCN(CC3)C(C)C)c(cc2)OC)(CC1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC1(CC1)c1ccccc1
• InChI: InChI=1S/C25H32N2O3/c1-18(2)27-15-11-21(12-16-27)30-23-17-19(9-10-22(23)29-3)24(28)26-25(13-14-25)20-7-5-4-6-8-20/h4-10,17-18,21H,11-16H2,1-3H3,(H,26,28)
• InChIKey: UIPOSLCDOVPWNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47053638
• LogD (pH = 7.4): 2.0860305
• Log P: 3.6462152
• Molar Refractivity: 119.2914 cm^3
• Polarizability: 46.2741 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.873738

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.78
• LOG S: -5.13
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5