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

• ChemBase ID: 526131
• Molecular Formular: C26H30N2O4
• Molecular Mass: 434.5274
• Monoisotopic Mass: 434.22055745
• SMILES: c1(C(=O)NC2Cc3c(C2)cccc3)c(OC2CCN(C(=O)C3CC3)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1Cc2c(C1)cccc2)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C26H30N2O4/c1-31-22-8-9-24(32-21-10-12-28(13-11-21)26(30)17-6-7-17)23(16-22)25(29)27-20-14-18-4-2-3-5-19(18)15-20/h2-5,8-9,16-17,20-21H,6-7,10-15H2,1H3,(H,27,29)
• InChIKey: DKCZKPBMLHVVCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.826354
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.878506
• LogD (pH = 7.4): 2.8785062
• Log P: 2.8785062
• Molar Refractivity: 122.4284 cm^3
• Polarizability: 47.069916 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: 2.01
• LOG S: -5.93
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5