3-{[1-(furan-3-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 407784
• Molecular Formular: C23H23N3O4
• Molecular Mass: 405.44642
• Monoisotopic Mass: 405.16885623
• SMILES: C(=O)(c1cocc1)N1CCC(Oc2cc(C(=O)NCc3ncccc3)ccc2)CC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C(=O)c1cocc1)NCc1ccccn1
• InChI: InChI=1S/C23H23N3O4/c27-22(25-15-19-5-1-2-10-24-19)17-4-3-6-21(14-17)30-20-7-11-26(12-8-20)23(28)18-9-13-29-16-18/h1-6,9-10,13-14,16,20H,7-8,11-12,15H2,(H,25,27)
• InChIKey: BFJADSYPKUEZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(furan-3-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-{[1-(furan-3-carbonyl)piperidin-4-yl]oxy}-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 3-{[1-(3-furoyl)-4-piperidinyl]oxy}-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.435024
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7083141
• LogD (pH = 7.4): 1.7260526
• Log P: 1.7262839
• Molar Refractivity: 111.336 cm^3
• Polarizability: 42.167442 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.19
• LOG S: -5.18
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6