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

• ChemBase ID: 464184
• Molecular Formular: C23H30FN3O
• Molecular Mass: 383.5022032
• Monoisotopic Mass: 383.23729082
• SMILES: C(=O)(N(CC1CN(CCc2c(F)cccc2)CCC1)C)CCc1ncccc1
• Canonical SMILES: O=C(N(CC1CCCN(C1)CCc1ccccc1F)C)CCc1ccccn1
• InChI: InChI=1S/C23H30FN3O/c1-26(23(28)12-11-21-9-4-5-14-25-21)17-19-7-6-15-27(18-19)16-13-20-8-2-3-10-22(20)24/h2-5,8-10,14,19H,6-7,11-13,15-18H2,1H3
• InChIKey: OTBDNZHZJNKZOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0018002796
• LogD (pH = 7.4): 1.7668471
• Log P: 3.0370157
• Molar Refractivity: 110.7558 cm^3
• Polarizability: 42.70086 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -3.99
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 8