N-[2-(1-{2-[(3-fluoro-4-methylphenyl)methyl]benzoyl}piperidin-2-yl)ethyl]acetamide

• ChemBase ID: 390005
• Molecular Formular: C24H29FN2O2
• Molecular Mass: 396.4976632
• Monoisotopic Mass: 396.2213064
• SMILES: C(=O)(N1C(CCNC(=O)C)CCCC1)c1c(Cc2cc(c(cc2)C)F)cccc1
• Canonical SMILES: CC(=O)NCCC1CCCCN1C(=O)c1ccccc1Cc1ccc(c(c1)F)C
• InChI: InChI=1S/C24H29FN2O2/c1-17-10-11-19(16-23(17)25)15-20-7-3-4-9-22(20)24(29)27-14-6-5-8-21(27)12-13-26-18(2)28/h3-4,7,9-11,16,21H,5-6,8,12-15H2,1-2H3,(H,26,28)
• InChIKey: DREKWFJIUHDXGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-{2-[(3-fluoro-4-methylphenyl)methyl]benzoyl}piperidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(1-{2-[(3-fluoro-4-methylphenyl)methyl]benzoyl}piperidin-2-yl)ethyl]acetamide
• Synonyms: N-(2-{1-[2-(3-fluoro-4-methylbenzyl)benzoyl]-2-piperidinyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.703234
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0111113
• LogD (pH = 7.4): 4.0111113
• Log P: 4.0111113
• Molar Refractivity: 113.9958 cm^3
• Polarizability: 42.98897 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.92
• LOG S: -4.58
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6