N4-[3-(furan-2-yl)phenyl]-N1-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide

• ChemBase ID: 670899
• Molecular Formular: C22H23N3O4
• Molecular Mass: 393.43572
• Monoisotopic Mass: 393.16885623
• SMILES: C(=O)(N1CCC(C(=O)Nc2cc(c3occc3)ccc2)CC1)NCc1occc1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)NCc1ccco1)Nc1cccc(c1)c1ccco1
• InChI: InChI=1S/C22H23N3O4/c26-21(24-18-5-1-4-17(14-18)20-7-3-13-29-20)16-8-10-25(11-9-16)22(27)23-15-19-6-2-12-28-19/h1-7,12-14,16H,8-11,15H2,(H,23,27)(H,24,26)
• InChIKey: BVUJBENFEOTUFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[3-(furan-2-yl)phenyl]-N1-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N4-[3-(furan-2-yl)phenyl]-N1-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
• Synonyms: N~1~-(2-furylmethyl)-N~4~-[3-(2-furyl)phenyl]piperidine-1,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.696183
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3067987
• LogD (pH = 7.4): 2.3067985
• Log P: 2.3067987
• Molar Refractivity: 109.0225 cm^3
• Polarizability: 42.145866 Å^3
• Polar Surface Area: 87.72 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: 2.84
• LOG S: -4.49
• Polar Surface Area: 87.72 Å^2
• Rotatable Bonds: 5