1-cyclobutyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide

• ChemBase ID: 364247
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: N1(C(C(=O)Nc2cnc(Oc3ccccc3)cc2)CCCC1)C1CCC1
• Canonical SMILES: O=C(C1CCCCN1C1CCC1)Nc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C21H25N3O2/c25-21(19-11-4-5-14-24(19)17-7-6-8-17)23-16-12-13-20(22-15-16)26-18-9-2-1-3-10-18/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,23,25)
• InChIKey: HBPGYSGAUXCSQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide
• IUPAC Traditional name: 1-cyclobutyl-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide
• Synonyms: 1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.361652
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9135001
• LogD (pH = 7.4): 3.5698276
• Log P: 3.9519825
• Molar Refractivity: 102.4469 cm^3
• Polarizability: 39.443493 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 4.54
• LOG S: -4.06