N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2,3-dimethoxybenzamide

• ChemBase ID: 356492
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: c1(C(=O)NC2CN(C3Cc4c(C3)cccc4)CCC2)c(c(OC)ccc1)OC
• Canonical SMILES: COc1c(OC)cccc1C(=O)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H28N2O3/c1-27-21-11-5-10-20(22(21)28-2)23(26)24-18-9-6-12-25(15-18)19-13-16-7-3-4-8-17(16)14-19/h3-5,7-8,10-11,18-19H,6,9,12-15H2,1-2H3,(H,24,26)
• InChIKey: HFCWHZTVULKFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.914168
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.45137027
• LogD (pH = 7.4): 2.2020957
• Log P: 3.3292186
• Molar Refractivity: 110.5372 cm^3
• Polarizability: 42.437748 Å^3
• Polar Surface Area: 50.8 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: 3.41
• LOG S: -4.47
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3