1-(furan-2-ylmethyl)-N-[2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 478642
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: C1(C(=O)NCCc2oc(cc2)C)CN(Cc2occc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)NCCc1ccc(o1)C
• InChI: InChI=1S/C18H24N2O3/c1-14-6-7-16(23-14)8-9-19-18(21)15-4-2-10-20(12-15)13-17-5-3-11-22-17/h3,5-7,11,15H,2,4,8-10,12-13H2,1H3,(H,19,21)
• InChIKey: SJWYAMNVFIXQLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-[2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-[2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-[2-(5-methyl-2-furyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.055395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2801499
• LogD (pH = 7.4): 0.4537065
• Log P: 1.6648816
• Molar Refractivity: 88.957 cm^3
• Polarizability: 34.000053 Å^3
• Polar Surface Area: 58.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.03
• LOG S: -3.24
• Polar Surface Area: 58.62 Å^2
• Rotatable Bonds: 6