N-[1-(1-cyclooctylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-phenylacetamide

• ChemBase ID: 363262
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCCCCC1)NC(=O)Cc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)C1CCCCCCC1)Cc1ccccc1
• InChI: InChI=1S/C24H34N4O/c29-24(19-20-9-5-4-6-10-20)26-23-13-16-25-28(23)22-14-17-27(18-15-22)21-11-7-2-1-3-8-12-21/h4-6,9-10,13,16,21-22H,1-3,7-8,11-12,14-15,17-19H2,(H,26,29)
• InChIKey: OURRAQJYYXJZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-cyclooctylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-phenylacetamide
• IUPAC Traditional name: N-[2-(1-cyclooctylpiperidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
• Synonyms: N-[1-(1-cyclooctyl-4-piperidinyl)-1H-pyrazol-5-yl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.410237
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.80279464
• LogD (pH = 7.4): 1.554626
• Log P: 4.277661
• Molar Refractivity: 129.4669 cm^3
• Polarizability: 45.548904 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.17
• LOG S: -6.24
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5