2-{2-[1-(3-fluoropyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 684552
• Molecular Formular: C15H18FN5O
• Molecular Mass: 303.3347232
• Monoisotopic Mass: 303.14953844
• SMILES: n1(c(ncc1)C1CCN(c2ncccc2F)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)c1ncccc1F
• InChI: InChI=1S/C15H18FN5O/c16-12-2-1-5-18-15(12)20-7-3-11(4-8-20)14-19-6-9-21(14)10-13(17)22/h1-2,5-6,9,11H,3-4,7-8,10H2,(H2,17,22)
• InChIKey: SJDLGXHWBNHTCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(3-fluoropyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(3-fluoropyridin-2-yl)piperidin-4-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(3-fluoro-2-pyridinyl)-4-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.166339
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.18563092
• LogD (pH = 7.4): 0.64909446
• Log P: 0.76979035
• Molar Refractivity: 80.8548 cm^3
• Polarizability: 29.99401 Å^3
• Polar Surface Area: 77.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.03
• LOG S: -2.75
• Polar Surface Area: 77.04 Å^2
• Rotatable Bonds: 4