N-{1-[5-(3-methoxyphenyl)furan-2-carbonyl]piperidin-3-yl}acetamide

• ChemBase ID: 490548
• Molecular Formular: C19H22N2O4
• Molecular Mass: 342.38898
• Monoisotopic Mass: 342.15795719
• SMILES: c1(C(=O)N2CC(NC(=O)C)CCC2)oc(cc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccc(o1)C(=O)N1CCCC(C1)NC(=O)C
• InChI: InChI=1S/C19H22N2O4/c1-13(22)20-15-6-4-10-21(12-15)19(23)18-9-8-17(25-18)14-5-3-7-16(11-14)24-2/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,20,22)
• InChIKey: VQUPPZVHFBEKGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[5-(3-methoxyphenyl)furan-2-carbonyl]piperidin-3-yl}acetamide
• IUPAC Traditional name: N-{1-[5-(3-methoxyphenyl)furan-2-carbonyl]piperidin-3-yl}acetamide
• Synonyms: N-{1-[5-(3-methoxyphenyl)-2-furoyl]piperidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.139349
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2284673
• LogD (pH = 7.4): 1.2284675
• Log P: 1.2284675
• Molar Refractivity: 93.4024 cm^3
• Polarizability: 36.874664 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.35
• LOG S: -2.85
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4