N-cyclohexyl-3-(5-fluoro-2-methoxybenzoyl)piperidine-1-carboxamide

• ChemBase ID: 346944
• Molecular Formular: C20H27FN2O3
• Molecular Mass: 362.4383832
• Monoisotopic Mass: 362.20057095
• SMILES: C(=O)(N1CC(C(=O)c2c(ccc(c2)F)OC)CCC1)NC1CCCCC1
• Canonical SMILES: COc1ccc(cc1C(=O)C1CCCN(C1)C(=O)NC1CCCCC1)F
• InChI: InChI=1S/C20H27FN2O3/c1-26-18-10-9-15(21)12-17(18)19(24)14-6-5-11-23(13-14)20(25)22-16-7-3-2-4-8-16/h9-10,12,14,16H,2-8,11,13H2,1H3,(H,22,25)
• InChIKey: BSCCPOFWFLUFHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-(5-fluoro-2-methoxybenzoyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-3-(5-fluoro-2-methoxybenzoyl)piperidine-1-carboxamide
• Synonyms: N-cyclohexyl-3-(5-fluoro-2-methoxybenzoyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.325182
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.074752
• LogD (pH = 7.4): 3.0747526
• Log P: 3.0747528
• Molar Refractivity: 97.5715 cm^3
• Polarizability: 37.420746 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.37
• LOG S: -5.2
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3