N-(1-{[4-(5-methylfuran-2-yl)phenyl]methyl}piperidin-3-yl)acetamide

• ChemBase ID: 692694
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(oc(cc1)C)c1ccc(CN2CC(NC(=O)C)CCC2)cc1
• Canonical SMILES: CC(=O)NC1CCCN(C1)Cc1ccc(cc1)c1ccc(o1)C
• InChI: InChI=1S/C19H24N2O2/c1-14-5-10-19(23-14)17-8-6-16(7-9-17)12-21-11-3-4-18(13-21)20-15(2)22/h5-10,18H,3-4,11-13H2,1-2H3,(H,20,22)
• InChIKey: LPUCDUQLXPOTFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{[4-(5-methylfuran-2-yl)phenyl]methyl}piperidin-3-yl)acetamide
• IUPAC Traditional name: N-(1-{[4-(5-methylfuran-2-yl)phenyl]methyl}piperidin-3-yl)acetamide
• Synonyms: N-{1-[4-(5-methyl-2-furyl)benzyl]piperidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.700469
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.37285718
• LogD (pH = 7.4): 1.4005625
• Log P: 2.3091033
• Molar Refractivity: 91.8823 cm^3
• Polarizability: 36.665207 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.61
• LOG S: -3.71
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4