6-ethyl-3-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,5-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 478792
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: c1(c(=O)n(c(c(c1)C)CC)C)C(=O)N1CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: CCc1c(C)cc(c(=O)n1C)C(=O)N1CCCC(C1)Nc1ccc(cc1)OC
• InChI: InChI=1S/C22H29N3O3/c1-5-20-15(2)13-19(21(26)24(20)3)22(27)25-12-6-7-17(14-25)23-16-8-10-18(28-4)11-9-16/h8-11,13,17,23H,5-7,12,14H2,1-4H3
• InChIKey: COBMDDQISYXCAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-3-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,5-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-ethyl-3-{3-[(4-methoxyphenyl)amino]piperidine-1-carbonyl}-1,5-dimethylpyridin-2-one
• Synonyms: 6-ethyl-3-({3-[(4-methoxyphenyl)amino]-1-piperidinyl}carbonyl)-1,5-dimethyl-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 1.7650758
• LogD (pH = 7.4): 2.0142183
• Log P: 2.0185392
• Molar Refractivity: 113.2142 cm^3
• Polarizability: 42.08656 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.08
• LOG S: -3.77
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3