N-(2-fluoro-4-methylphenyl)-2-{[1-(piperidin-1-yl)propan-2-yl]amino}acetamide

• ChemBase ID: 597428
• Molecular Formular: C17H26FN3O
• Molecular Mass: 307.4062432
• Monoisotopic Mass: 307.20599069
• SMILES: N(c1c(cc(cc1)C)F)C(=O)CNC(CN1CCCCC1)C
• Canonical SMILES: CC(CN1CCCCC1)NCC(=O)Nc1ccc(cc1F)C
• InChI: InChI=1S/C17H26FN3O/c1-13-6-7-16(15(18)10-13)20-17(22)11-19-14(2)12-21-8-4-3-5-9-21/h6-7,10,14,19H,3-5,8-9,11-12H2,1-2H3,(H,20,22)
• InChIKey: LNNWEYNIYFPBMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-4-methylphenyl)-2-{[1-(piperidin-1-yl)propan-2-yl]amino}acetamide
• IUPAC Traditional name: N-(2-fluoro-4-methylphenyl)-2-{[1-(piperidin-1-yl)propan-2-yl]amino}acetamide
• Synonyms: N-(2-fluoro-4-methylphenyl)-2-[(1-methyl-2-piperidin-1-ylethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.697117
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.39236522
• LogD (pH = 7.4): 1.341421
• Log P: 2.6611156
• Molar Refractivity: 88.8928 cm^3
• Polarizability: 33.680756 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.21
• LOG S: -3.33
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6