4-{[1-(furan-3-ylmethyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 327963
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: C(=O)(NCc1ccncc1)c1ccc(OC2CCN(Cc3cocc3)CC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)Cc1cocc1)NCc1ccncc1
• InChI: InChI=1S/C23H25N3O3/c27-23(25-15-18-5-10-24-11-6-18)20-1-3-21(4-2-20)29-22-7-12-26(13-8-22)16-19-9-14-28-17-19/h1-6,9-11,14,17,22H,7-8,12-13,15-16H2,(H,25,27)
• InChIKey: JANQVFHEDGFHAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(furan-3-ylmethyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: 4-{[1-(furan-3-ylmethyl)piperidin-4-yl]oxy}-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: 4-{[1-(3-furylmethyl)-4-piperidinyl]oxy}-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.996096
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.19409588
• LogD (pH = 7.4): 1.6644061
• Log P: 2.2882164
• Molar Refractivity: 111.5291 cm^3
• Polarizability: 42.670303 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.56
• LOG S: -3.9
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7