1-benzyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide

• ChemBase ID: 730126
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: N1(C(C(=O)Nc2ccc(Oc3cnccc3)cc2)CCCC1)Cc1ccccc1
• Canonical SMILES: O=C(C1CCCCN1Cc1ccccc1)Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C24H25N3O2/c28-24(23-10-4-5-16-27(23)18-19-7-2-1-3-8-19)26-20-11-13-21(14-12-20)29-22-9-6-15-25-17-22/h1-3,6-9,11-15,17,23H,4-5,10,16,18H2,(H,26,28)
• InChIKey: LAMXZWNFHKLHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-benzyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• Synonyms: 1-benzyl-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.690833
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.066318
• LogD (pH = 7.4): 3.7767272
• Log P: 4.171865
• Molar Refractivity: 114.9338 cm^3
• Polarizability: 44.249126 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.72
• LOG S: -4.08
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6