5-methoxy-N-methyl-4-oxo-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}-4H-pyran-2-carboxamide

• ChemBase ID: 745479
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: c1(cc(=O)c(co1)OC)C(=O)N(CC1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: COc1coc(cc1=O)C(=O)N(CC1(CCCCC1)N1CCCCC1)C
• InChI: InChI=1S/C20H30N2O4/c1-21(19(24)17-13-16(23)18(25-2)14-26-17)15-20(9-5-3-6-10-20)22-11-7-4-8-12-22/h13-14H,3-12,15H2,1-2H3
• InChIKey: XXXYIEBUYSVXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-methyl-4-oxo-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}-4H-pyran-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-methyl-4-oxo-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}pyran-2-carboxamide
• Synonyms: 5-methoxy-N-methyl-4-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8467727
• LogD (pH = 7.4): 0.77804476
• Log P: 2.3172686
• Molar Refractivity: 102.6399 cm^3
• Polarizability: 39.10001 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.69
• LOG S: -3.29
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 5