N-[(2-fluorophenyl)methyl]-2-{4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}acetamide

• ChemBase ID: 596254
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: c1(n(ccn1)C)C(C1CCN(CC(=O)NCc2c(F)cccc2)CC1)O
• Canonical SMILES: O=C(CN1CCC(CC1)C(c1nccn1C)O)NCc1ccccc1F
• InChI: InChI=1S/C19H25FN4O2/c1-23-11-8-21-19(23)18(26)14-6-9-24(10-7-14)13-17(25)22-12-15-4-2-3-5-16(15)20/h2-5,8,11,14,18,26H,6-7,9-10,12-13H2,1H3,(H,22,25)
• InChIKey: KJGDBMKJDZONKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-fluorophenyl)methyl]-2-{4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}acetamide
• IUPAC Traditional name: N-[(2-fluorophenyl)methyl]-2-{4-[hydroxy(1-methylimidazol-2-yl)methyl]piperidin-1-yl}acetamide
• Synonyms: N-(2-fluorobenzyl)-2-{4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidin-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.292329
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.93764013
• LogD (pH = 7.4): 0.68825823
• Log P: 0.84552354
• Molar Refractivity: 97.6993 cm^3
• Polarizability: 37.37411 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.58
• LOG S: -2.33
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 6