1-benzyl-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide

• ChemBase ID: 560630
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: C(=O)(Nc1cnc(Oc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)Cc1ccccc1)Nc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C24H25N3O2/c28-24(20-13-15-27(16-14-20)18-19-7-3-1-4-8-19)26-21-11-12-23(25-17-21)29-22-9-5-2-6-10-22/h1-12,17,20H,13-16,18H2,(H,26,28)
• InChIKey: YWWPBRWIZRMLDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-benzyl-N-(6-phenoxypyridin-3-yl)piperidine-4-carboxamide
• Synonyms: 1-benzyl-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Log P: 4.2991276
• Molar Refractivity: 115.6573 cm^3
• Polarizability: 44.253845 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.890389
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1363616
• LogD (pH = 7.4): 2.762193

供应商提供(Chembridge)

• Log P: 4.44
• LOG S: -4.88
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1