N-[1-(2-fluorophenyl)piperidin-4-yl]-3-(piperidin-3-yl)benzamide

• ChemBase ID: 694572
• Molecular Formular: C23H28FN3O
• Molecular Mass: 381.4863232
• Monoisotopic Mass: 381.22164075
• SMILES: C(=O)(NC1CCN(c2c(F)cccc2)CC1)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)C1CCCNC1)NC1CCN(CC1)c1ccccc1F
• InChI: InChI=1S/C23H28FN3O/c24-21-8-1-2-9-22(21)27-13-10-20(11-14-27)26-23(28)18-6-3-5-17(15-18)19-7-4-12-25-16-19/h1-3,5-6,8-9,15,19-20,25H,4,7,10-14,16H2,(H,26,28)
• InChIKey: OJDKMYUQMVOWKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-fluorophenyl)piperidin-4-yl]-3-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[1-(2-fluorophenyl)piperidin-4-yl]-3-(piperidin-3-yl)benzamide
• Synonyms: N-[1-(2-fluorophenyl)piperidin-4-yl]-3-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.102275
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.075034864
• LogD (pH = 7.4): 0.81736565
• Log P: 3.291209
• Molar Refractivity: 111.5431 cm^3
• Polarizability: 41.949764 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.59
• LOG S: -5.05
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4