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

• ChemBase ID: 763083
• Molecular Formular: C18H27FN2O
• Molecular Mass: 306.4181832
• Monoisotopic Mass: 306.21074171
• SMILES: N1(CCCC(=O)NCCCc2c(F)cccc2)CCCCC1
• Canonical SMILES: O=C(CCCN1CCCCC1)NCCCc1ccccc1F
• InChI: InChI=1S/C18H27FN2O/c19-17-10-3-2-8-16(17)9-6-12-20-18(22)11-7-15-21-13-4-1-5-14-21/h2-3,8,10H,1,4-7,9,11-15H2,(H,20,22)
• InChIKey: RERFPFDNBICKFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.431698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32423824
• LogD (pH = 7.4): 0.95953965
• Log P: 3.0613313
• Molar Refractivity: 88.573 cm^3
• Polarizability: 34.080303 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.26
• LOG S: -4.22
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8