1-ethyl-3-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-4,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 838524
• Molecular Formular: C23H29FN2O2
• Molecular Mass: 384.4869632
• Monoisotopic Mass: 384.2213064
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)N1CC(CCc2c(F)cccc2)CCC1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)N1CCCC(C1)CCc1ccccc1F)C
• InChI: InChI=1S/C23H29FN2O2/c1-4-26-17(3)14-16(2)21(23(26)28)22(27)25-13-7-8-18(15-25)11-12-19-9-5-6-10-20(19)24/h5-6,9-10,14,18H,4,7-8,11-13,15H2,1-3H3
• InChIKey: RSMMLZHORPAGEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-4,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-ethyl-3-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}-4,6-dimethylpyridin-2-one
• Synonyms: 1-ethyl-3-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-4,6-dimethyl-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6514134
• LogD (pH = 7.4): 3.6514146
• Log P: 3.6514146
• Molar Refractivity: 111.6086 cm^3
• Polarizability: 41.689747 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.11
• LOG S: -5.51
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 5