N-[1-(1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 700862
• Molecular Formular: C15H23N3O4S
• Molecular Mass: 341.42582
• Monoisotopic Mass: 341.14092723
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: Cc1cc(C)n(c(=O)c1C(=O)N1CCC(CC1)NS(=O)(=O)C)C
• InChI: InChI=1S/C15H23N3O4S/c1-10-9-11(2)17(3)14(19)13(10)15(20)18-7-5-12(6-8-18)16-23(4,21)22/h9,12,16H,5-8H2,1-4H3
• InChIKey: LHAKZXFAZIXQMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-{1-[(1,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 88.48 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4
• H Donor: 1
• Log P: -0.62
• LOG S: -2.47

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 11.524104
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5613134
• LogD (pH = 7.4): -1.5613412
• Log P: -1.5613122
• Molar Refractivity: 89.1596 cm^3
• Polarizability: 34.221794 Å^3
• Polar Surface Area: 86.79 Å^2