N,4-dimethyl-1-(6-methyl-4-oxo-4H-pyran-2-carbonyl)piperidine-4-carboxamide

• ChemBase ID: 858333
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: c1(C(=O)N2CCC(C(=O)NC)(CC2)C)cc(=O)cc(o1)C
• Canonical SMILES: CNC(=O)C1(C)CCN(CC1)C(=O)c1cc(=O)cc(o1)C
• InChI: InChI=1S/C15H20N2O4/c1-10-8-11(18)9-12(21-10)13(19)17-6-4-15(2,5-7-17)14(20)16-3/h8-9H,4-7H2,1-3H3,(H,16,20)
• InChIKey: BDXURQLVTBUGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-1-(6-methyl-4-oxo-4H-pyran-2-carbonyl)piperidine-4-carboxamide
• IUPAC Traditional name: N,4-dimethyl-1-(6-methyl-4-oxopyran-2-carbonyl)piperidine-4-carboxamide
• Synonyms: N,4-dimethyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.437178
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.10714609
• LogD (pH = 7.4): 0.10714667
• Log P: 0.10714668
• Molar Refractivity: 80.2773 cm^3
• Polarizability: 29.651487 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.88
• LOG S: -1.89
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 2