N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide

• ChemBase ID: 526956
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)Cc2c(ccc(c2)OC)OC)CCC1
• Canonical SMILES: COc1ccc(cc1CC(=O)NC1CCCN(C1)C1Cc2c(C1)cccc2)OC
• InChI: InChI=1S/C24H30N2O3/c1-28-22-9-10-23(29-2)19(14-22)15-24(27)25-20-8-5-11-26(16-20)21-12-17-6-3-4-7-18(17)13-21/h3-4,6-7,9-10,14,20-21H,5,8,11-13,15-16H2,1-2H3,(H,25,27)
• InChIKey: PZELYTSMHONUSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-2-(2,5-dimethoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.476693
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.25644153
• LogD (pH = 7.4): 1.9494183
• Log P: 3.3093839
• Molar Refractivity: 114.5886 cm^3
• Polarizability: 44.492847 Å^3
• Polar Surface Area: 50.8 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: 3.6
• LOG S: -4.34
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4