2-(4-fluorophenyl)-1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]piperidine

• ChemBase ID: 579311
• Molecular Formular: C22H22FN3O
• Molecular Mass: 363.4279832
• Monoisotopic Mass: 363.17469056
• SMILES: N1(C(=O)c2c(c3n(ccn3)C)cccc2)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1ccccc1c1nccn1C
• InChI: InChI=1S/C22H22FN3O/c1-25-15-13-24-21(25)18-6-2-3-7-19(18)22(27)26-14-5-4-8-20(26)16-9-11-17(23)12-10-16/h2-3,6-7,9-13,15,20H,4-5,8,14H2,1H3
• InChIKey: IODKCLKYHYPRFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)benzoyl]piperidine
• Synonyms: 2-(4-fluorophenyl)-1-[2-(1-methyl-1H-imidazol-2-yl)benzoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6864853
• LogD (pH = 7.4): 4.1645203
• Log P: 4.1785226
• Molar Refractivity: 114.5241 cm^3
• Polarizability: 39.72205 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.79
• LOG S: -3.38
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3