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

• ChemBase ID: 690453
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: c1(oc(cc1)CCC)CN1CC(NC(=O)C)CCC1
• Canonical SMILES: CCCc1ccc(o1)CN1CCCC(C1)NC(=O)C
• InChI: InChI=1S/C15H24N2O2/c1-3-5-14-7-8-15(19-14)11-17-9-4-6-13(10-17)16-12(2)18/h7-8,13H,3-6,9-11H2,1-2H3,(H,16,18)
• InChIKey: KXYARJRWFZNQFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(5-propylfuran-2-yl)methyl]piperidin-3-yl}acetamide
• IUPAC Traditional name: N-{1-[(5-propylfuran-2-yl)methyl]piperidin-3-yl}acetamide
• Synonyms: N-{1-[(5-propyl-2-furyl)methyl]piperidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.341274
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.518863
• LogD (pH = 7.4): 1.1761651
• Log P: 1.628969
• Molar Refractivity: 75.8711 cm^3
• Polarizability: 29.375195 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.76
• LOG S: -2.63
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5