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

• ChemBase ID: 524909
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N(C(=O)CCOc2ccccc2)C)CCC1
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)CCOc1ccccc1
• InChI: InChI=1S/C24H30N2O2/c1-25(24(27)13-15-28-23-11-3-2-4-12-23)21-10-7-14-26(18-21)22-16-19-8-5-6-9-20(19)17-22/h2-6,8-9,11-12,21-22H,7,10,13-18H2,1H3
• InChIKey: HTQPVYKQZOROKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.59571266
• LogD (pH = 7.4): 2.213993
• Log P: 3.7679791
• Molar Refractivity: 112.4985 cm^3
• Polarizability: 43.835278 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.61
• LOG S: -3.96
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6