1-(1-ethyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 726211
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: c1(C(=O)N2CCC(C(=O)NCc3occc3)CC2)cc(=O)n(cc1)CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)N1CCC(CC1)C(=O)NCc1ccco1
• InChI: InChI=1S/C19H23N3O4/c1-2-21-8-7-15(12-17(21)23)19(25)22-9-5-14(6-10-22)18(24)20-13-16-4-3-11-26-16/h3-4,7-8,11-12,14H,2,5-6,9-10,13H2,1H3,(H,20,24)
• InChIKey: FBRZESSMDNFCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-ethyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(1-ethyl-2-oxopyridine-4-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-[(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]-N-(2-furylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.528843
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.052627932
• LogD (pH = 7.4): -0.05262713
• Log P: -0.052626833
• Molar Refractivity: 97.4097 cm^3
• Polarizability: 36.546074 Å^3
• Polar Surface Area: 82.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.42
• LOG S: -2.76
• Polar Surface Area: 84.55 Å^2
• Rotatable Bonds: 5