N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide

• ChemBase ID: 344352
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: C(=O)(C1CN(Cc2c(O)cccc2)CCC1)Nc1ccc(c2occc2)cc1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccccc1O)Nc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C23H24N2O3/c26-21-7-2-1-5-18(21)15-25-13-3-6-19(16-25)23(27)24-20-11-9-17(10-12-20)22-8-4-14-28-22/h1-2,4-5,7-12,14,19,26H,3,6,13,15-16H2,(H,24,27)
• InChIKey: KEVOERSWOZWCEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(furan-2-yl)phenyl]-1-[(2-hydroxyphenyl)methyl]piperidine-3-carboxamide
• Synonyms: N-[4-(2-furyl)phenyl]-1-(2-hydroxybenzyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.303768
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6534825
• LogD (pH = 7.4): 2.032033
• Log P: 2.859422
• Molar Refractivity: 110.6139 cm^3
• Polarizability: 43.24254 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.37
• LOG S: -5.52
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5