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

• ChemBase ID: 520311
• Molecular Formular: C24H28N2O4
• Molecular Mass: 408.49012
• Monoisotopic Mass: 408.20490739
• SMILES: C(=O)(NC1Cc2c(C1)cccc2)c1cc(c(OC2CCN(C(=O)C)CC2)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C(=O)C)C(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H28N2O4/c1-16(27)26-11-9-21(10-12-26)30-22-8-7-19(15-23(22)29-2)24(28)25-20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20-21H,9-14H2,1-2H3,(H,25,28)
• InChIKey: KHVBQHHEKVKKRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxybenzamide
• IUPAC Traditional name: 4-[(1-acetylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxybenzamide
• Synonyms: 4-[(1-acetyl-4-piperidinyl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.792831
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0987098
• LogD (pH = 7.4): 2.09871
• Log P: 2.09871
• Molar Refractivity: 115.0292 cm^3
• Polarizability: 44.115784 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -5.02
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 4