N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)-2-(pyridin-2-yl)acetamide

• ChemBase ID: 400366
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: C(=O)(Cc1ncccc1)N(CC1CN(CCc2c(C)cccc2)CCC1)C
• Canonical SMILES: O=C(N(CC1CCCN(C1)CCc1ccccc1C)C)Cc1ccccn1
• InChI: InChI=1S/C23H31N3O/c1-19-8-3-4-10-21(19)12-15-26-14-7-9-20(18-26)17-25(2)23(27)16-22-11-5-6-13-24-22/h3-6,8,10-11,13,20H,7,9,12,14-18H2,1-2H3
• InChIKey: VWYZPDXPGHLUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-3-yl}methyl)-2-(pyridin-2-yl)acetamide
• Synonyms: N-methyl-N-({1-[2-(2-methylphenyl)ethyl]-3-piperidinyl}methyl)-2-(2-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1028264
• LogD (pH = 7.4): 1.5181379
• Log P: 3.4751008
• Molar Refractivity: 111.0314 cm^3
• Polarizability: 42.997417 Å^3
• Polar Surface Area: 36.44 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: 2.52
• LOG S: -3.79
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7