N,1,4,6-tetramethyl-2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 365513
• Molecular Formular: C23H31N3O2
• Molecular Mass: 381.51114
• Monoisotopic Mass: 381.24162725
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1c(C)cc(n(c1=O)C)C)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H31N3O2/c1-17-15-18(2)24(3)22(27)21(17)23(28)25(4)20-11-8-13-26(16-20)14-12-19-9-6-5-7-10-19/h5-7,9-10,15,20H,8,11-14,16H2,1-4H3
• InChIKey: UNGATPQDGMSZFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,4,6-tetramethyl-2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,1,4,6-tetramethyl-2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-3-carboxamide
• Synonyms: N,1,4,6-tetramethyl-2-oxo-N-[1-(2-phenylethyl)-3-piperidinyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5937326
• LogD (pH = 7.4): 1.1199458
• 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: 2.45
• LOG S: -4.07
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 5