N-(2-fluorophenyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 496424
• Molecular Formular: C18H23FN4O2
• Molecular Mass: 346.3992232
• Monoisotopic Mass: 346.18050422
• SMILES: C(=O)(N1CCC(c2n(ccn2)CCOC)CC1)Nc1c(F)cccc1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C18H23FN4O2/c1-25-13-12-22-11-8-20-17(22)14-6-9-23(10-7-14)18(24)21-16-5-3-2-4-15(16)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,21,24)
• InChIKey: YGAFZRDQMAAMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-fluorophenyl)-4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-(2-fluorophenyl)-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4285965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2460475
• LogD (pH = 7.4): 1.8889241
• Log P: 1.9184622
• Molar Refractivity: 94.7394 cm^3
• Polarizability: 35.22644 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: 1.03
• LOG S: -2.6
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5