N-(oxolan-3-yl)-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 436664
• Molecular Formular: C22H25N3O4
• Molecular Mass: 395.4516
• Monoisotopic Mass: 395.1845063
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2CCOC2)cc1)c1cnccc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1)NC1CCOC1
• InChI: InChI=1S/C22H25N3O4/c26-21(24-18-9-13-28-15-18)16-3-5-19(6-4-16)29-20-7-11-25(12-8-20)22(27)17-2-1-10-23-14-17/h1-6,10,14,18,20H,7-9,11-13,15H2,(H,24,26)
• InChIKey: QKFUUCCKCVPDEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-3-yl)-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(oxolan-3-yl)-4-{[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 4-{[1-(3-pyridinylcarbonyl)-4-piperidinyl]oxy}-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.123835
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6763739
• LogD (pH = 7.4): 0.681257
• Log P: 0.6813198
• Molar Refractivity: 108.3423 cm^3
• Polarizability: 41.200916 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.46
• LOG S: -4.33
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 5