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

• ChemBase ID: 324813
• Molecular Formular: C26H29N3O2
• Molecular Mass: 415.52736
• Monoisotopic Mass: 415.22597718
• SMILES: C(=O)(Nc1cnc(Oc2ccccc2)cc1)C1CCN(CC1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCN(CC1)CCCc1ccccc1)Nc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C26H29N3O2/c30-26(28-23-13-14-25(27-20-23)31-24-11-5-2-6-12-24)22-15-18-29(19-16-22)17-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-14,20,22H,7,10,15-19H2,(H,28,30)
• InChIKey: QIVQMFKVPXGISL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.890479
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6826707
• LogD (pH = 7.4): 3.0608351
• Log P: 5.032357
• Molar Refractivity: 125.0133 cm^3
• Polarizability: 47.86843 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.95
• LOG S: -5.88
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 8