2-(4-fluorophenyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-(piperidin-1-yl)acetamide

• ChemBase ID: 450061
• Molecular Formular: C20H27FN4O
• Molecular Mass: 358.4529832
• Monoisotopic Mass: 358.21688972
• SMILES: C(=O)(C(N1CCCCC1)c1ccc(cc1)F)N(CCc1cn(nc1)C)C
• Canonical SMILES: Fc1ccc(cc1)C(C(=O)N(CCc1cnn(c1)C)C)N1CCCCC1
• InChI: InChI=1S/C20H27FN4O/c1-23(13-10-16-14-22-24(2)15-16)20(26)19(25-11-4-3-5-12-25)17-6-8-18(21)9-7-17/h6-9,14-15,19H,3-5,10-13H2,1-2H3
• InChIKey: AKESBUJFHCXDBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(piperidin-1-yl)acetamide
• Synonyms: 2-(4-fluorophenyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-piperidin-1-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9414969
• LogD (pH = 7.4): 2.4520185
• Log P: 2.6790543
• Molar Refractivity: 112.6756 cm^3
• Polarizability: 38.563354 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -3.74
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6