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

• ChemBase ID: 838798
• Molecular Formular: C22H25FN2O2
• Molecular Mass: 368.4445032
• Monoisotopic Mass: 368.19000627
• SMILES: C(=O)(C1CN(CCNC(=O)C)CCC1)c1cc(c(cc1)c1ccccc1)F
• Canonical SMILES: CC(=O)NCCN1CCCC(C1)C(=O)c1ccc(c(c1)F)c1ccccc1
• InChI: InChI=1S/C22H25FN2O2/c1-16(26)24-11-13-25-12-5-8-19(15-25)22(27)18-9-10-20(21(23)14-18)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,19H,5,8,11-13,15H2,1H3,(H,24,26)
• InChIKey: FFOHQNANAQFYEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethyl}acetamide
• Synonyms: N-(2-{3-[(2-fluorobiphenyl-4-yl)carbonyl]piperidin-1-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Log P: 2.9852166
• Molar Refractivity: 104.7793 cm^3
• Polarizability: 41.40333 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.26599
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2008998
• LogD (pH = 7.4): 2.7377646

供应商提供(Chembridge)

• Log P: 3.45
• LOG S: -4.83
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1