N-[3-(2-fluorophenyl)propyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 756746
• Molecular Formular: C19H29FN2O
• Molecular Mass: 320.4447632
• Monoisotopic Mass: 320.22639178
• SMILES: N1(CCC(CC(=O)NCCCc2c(F)cccc2)CC1)C(C)C
• Canonical SMILES: O=C(CC1CCN(CC1)C(C)C)NCCCc1ccccc1F
• InChI: InChI=1S/C19H29FN2O/c1-15(2)22-12-9-16(10-13-22)14-19(23)21-11-5-7-17-6-3-4-8-18(17)20/h3-4,6,8,15-16H,5,7,9-14H2,1-2H3,(H,21,23)
• InChIKey: ABTSTNRRZAUTFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-2-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-[3-(2-fluorophenyl)propyl]-2-(1-isopropyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.478149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.092295006
• LogD (pH = 7.4): 1.3178258
• Log P: 3.242403
• Molar Refractivity: 93.0164 cm^3
• Polarizability: 35.921616 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.37
• LOG S: -4.42
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7