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

• ChemBase ID: 411783
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(n(ncc1)C1CCN(CC1)C1CCCCC1)NC(=O)Cc1ccccc1
• Canonical SMILES: O=C(Nc1ccnn1C1CCN(CC1)C1CCCCC1)Cc1ccccc1
• InChI: InChI=1S/C22H30N4O/c27-22(17-18-7-3-1-4-8-18)24-21-11-14-23-26(21)20-12-15-25(16-13-20)19-9-5-2-6-10-19/h1,3-4,7-8,11,14,19-20H,2,5-6,9-10,12-13,15-17H2,(H,24,27)
• InChIKey: QXTRZPFAMMTXBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.410108
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.06310971
• LogD (pH = 7.4): 0.913332
• Log P: 3.3885238
• Molar Refractivity: 120.2649 cm^3
• Polarizability: 41.86116 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: 3.05
• LOG S: -5.79
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5