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

• ChemBase ID: 620997
• Molecular Formular: C24H28N2O4
• Molecular Mass: 408.49012
• Monoisotopic Mass: 408.20490739
• SMILES: c1(C(=O)NC2c3c(CC2)cccc3)c(OC2CCN(C(=O)C)CC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NC1CCc2c1cccc2)OC1CCN(CC1)C(=O)C
• InChI: InChI=1S/C24H28N2O4/c1-16(27)26-13-11-18(12-14-26)30-23-10-8-19(29-2)15-21(23)24(28)25-22-9-7-17-5-3-4-6-20(17)22/h3-6,8,10,15,18,22H,7,9,11-14H2,1-2H3,(H,25,28)
• InChIKey: LZXSGFYOQMNFQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
• Synonyms: 2-[(1-acetyl-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): 2.2546175
• LogD (pH = 7.4): 2.2546172
• Log P: 2.2546175
• Molar Refractivity: 114.8752 cm^3
• Polarizability: 44.113808 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: 2.06
• LOG S: -4.72
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 4