N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,3-dimethylbenzamide

• ChemBase ID: 499835
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C(=O)(N(CC1CCN(CCc2c(OC)cccc2)CC1)C)c1cc(ccc1)C
• Canonical SMILES: COc1ccccc1CCN1CCC(CC1)CN(C(=O)c1cccc(c1)C)C
• InChI: InChI=1S/C24H32N2O2/c1-19-7-6-9-22(17-19)24(27)25(2)18-20-11-14-26(15-12-20)16-13-21-8-4-5-10-23(21)28-3/h4-10,17,20H,11-16,18H2,1-3H3
• InChIKey: UITJUEXLTYQPOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,3-dimethylbenzamide
• IUPAC Traditional name: N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,3-dimethylbenzamide
• Synonyms: N-({1-[2-(2-methoxyphenyl)ethyl]-4-piperidinyl}methyl)-N,3-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0157417
• LogD (pH = 7.4): 2.6768022
• Log P: 4.1275296
• Molar Refractivity: 116.0709 cm^3
• Polarizability: 44.34868 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.8
• LOG S: -4.37
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6