N-(2-fluorophenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 468542
• Molecular Formular: C18H23FN4O2
• Molecular Mass: 346.3992232
• Monoisotopic Mass: 346.18050422
• SMILES: c1(C2CN(C(=O)Nc3c(F)cccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C18H23FN4O2/c1-25-12-11-22-10-8-20-17(22)14-5-4-9-23(13-14)18(24)21-16-7-3-2-6-15(16)19/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H,21,24)
• InChIKey: QAEIXZDLKGVQMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-(2-fluorophenyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.426143
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4157736
• LogD (pH = 7.4): 2.046511
• Log P: 2.0743697
• Molar Refractivity: 94.5854 cm^3
• Polarizability: 35.226353 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.07
• LOG S: -2.64
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5