2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide

• ChemBase ID: 332156
• Molecular Formular: C26H30N2O4
• Molecular Mass: 434.5274
• Monoisotopic Mass: 434.22055745
• SMILES: c1(C(=O)NC2c3c(CC2)cccc3)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1CCc2c1cccc2)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C26H30N2O4/c1-31-20-9-11-24(32-19-12-14-28(15-13-19)26(30)18-6-7-18)22(16-20)25(29)27-23-10-8-17-4-2-3-5-21(17)23/h2-5,9,11,16,18-19,23H,6-8,10,12-15H2,1H3,(H,27,29)
• InChIKey: GZWRZQYKXCYAHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
• Synonyms: 2-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.796878
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0344133
• LogD (pH = 7.4): 3.0344136
• Log P: 3.0344136
• Molar Refractivity: 122.2744 cm^3
• Polarizability: 47.067642 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.41
• LOG S: -5.72
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5