1,4,6-trimethyl-3-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}-1,2-dihydropyridin-2-one

• ChemBase ID: 769158
• Molecular Formular: C23H31N3O2
• Molecular Mass: 381.51114
• Monoisotopic Mass: 381.24162725
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N1CC(N(CCc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1c(C)cc(n(c1=O)C)C)CCc1ccccc1
• InChI: InChI=1S/C23H31N3O2/c1-17-15-18(2)25(4)22(27)21(17)23(28)26-13-8-11-20(16-26)24(3)14-12-19-9-6-5-7-10-19/h5-7,9-10,15,20H,8,11-14,16H2,1-4H3
• InChIKey: OBXDAYGMLPIULG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,6-trimethyl-3-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1,4,6-trimethyl-3-{3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl}pyridin-2-one
• Synonyms: 1,4,6-trimethyl-3-({3-[methyl(2-phenylethyl)amino]-1-piperidinyl}carbonyl)-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.77751654
• LogD (pH = 7.4): 0.82710946
• Log P: 2.4109678
• Molar Refractivity: 115.3309 cm^3
• Polarizability: 43.566414 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -3.98
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 5