N-[2-(4-fluorophenyl)ethyl]-2-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 405073
• Molecular Formular: C19H25FN4O
• Molecular Mass: 344.4264032
• Monoisotopic Mass: 344.20123966
• SMILES: c1(C2CN(CC(=O)NCCc3ccc(F)cc3)CCC2)n(ccn1)C
• Canonical SMILES: O=C(CN1CCCC(C1)c1nccn1C)NCCc1ccc(cc1)F
• InChI: InChI=1S/C19H25FN4O/c1-23-12-10-22-19(23)16-3-2-11-24(13-16)14-18(25)21-9-8-15-4-6-17(20)7-5-15/h4-7,10,12,16H,2-3,8-9,11,13-14H2,1H3,(H,21,25)
• InChIKey: HFHHPWGPTLZVPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorophenyl)ethyl]-2-[3-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[2-(4-fluorophenyl)ethyl]-2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-[2-(4-fluorophenyl)ethyl]-2-[3-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.892082
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5921512
• LogD (pH = 7.4): 1.5118148
• Log P: 1.8946029
• Molar Refractivity: 96.31 cm^3
• Polarizability: 36.6593 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.67
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6