2-(3-fluorophenyl)-1-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 577437
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: c1(C2CN(C(=O)Cc3cc(F)ccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)Cc1cccc(c1)F
• InChI: InChI=1S/C19H24FN3O2/c1-25-11-10-22-9-7-21-19(22)16-5-3-8-23(14-16)18(24)13-15-4-2-6-17(20)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13-14H2,1H3
• InChIKey: UGATXBINOWWIRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)-1-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(3-fluorophenyl)-1-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}ethanone
• Synonyms: 1-[(3-fluorophenyl)acetyl]-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3424059
• LogD (pH = 7.4): 1.9731895
• Log P: 2.0010104
• Molar Refractivity: 94.1755 cm^3
• Polarizability: 35.918034 Å^3
• Polar Surface Area: 47.36 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: 1.69
• LOG S: -3.16
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6