N-tert-butyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide

• ChemBase ID: 406203
• Molecular Formular: C19H29FN2O
• Molecular Mass: 320.4447632
• Monoisotopic Mass: 320.22639178
• SMILES: N1(CC(=O)NC(C)(C)C)CC(CCc2ccc(F)cc2)CCC1
• Canonical SMILES: O=C(NC(C)(C)C)CN1CCCC(C1)CCc1ccc(cc1)F
• InChI: InChI=1S/C19H29FN2O/c1-19(2,3)21-18(23)14-22-12-4-5-16(13-22)7-6-15-8-10-17(20)11-9-15/h8-11,16H,4-7,12-14H2,1-3H3,(H,21,23)
• InChIKey: NZWPHLUQQOTBBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide
• IUPAC Traditional name: N-tert-butyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide
• Synonyms: N-(tert-butyl)-2-{3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.614381
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81805223
• LogD (pH = 7.4): 2.5906749
• Log P: 3.519828
• Molar Refractivity: 92.7242 cm^3
• Polarizability: 35.846024 Å^3
• Polar Surface Area: 32.34 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: 4.46
• LOG S: -5.35
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6