N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-2-hydroxyacetamide

• ChemBase ID: 640729
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: N1(Cc2occc2)CC(CCNC(=O)CO)CCC1
• Canonical SMILES: OCC(=O)NCCC1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C14H22N2O3/c17-11-14(18)15-6-5-12-3-1-7-16(9-12)10-13-4-2-8-19-13/h2,4,8,12,17H,1,3,5-7,9-11H2,(H,15,18)
• InChIKey: RHMWNNCAYFQVGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-2-hydroxyacetamide
• IUPAC Traditional name: N-{2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl}-2-hydroxyacetamide
• Synonyms: N-{2-[1-(2-furylmethyl)piperidin-3-yl]ethyl}-2-hydroxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.622316
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.959625
• LogD (pH = 7.4): -1.2664186
• Log P: 0.092834994
• Molar Refractivity: 72.9384 cm^3
• Polarizability: 28.248531 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.44
• LOG S: -1.52
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 6