1-(1-cyclopentanecarbonylpiperidin-3-yl)-4-(2-fluorophenyl)piperazine

• ChemBase ID: 607849
• Molecular Formular: C21H30FN3O
• Molecular Mass: 359.4808032
• Monoisotopic Mass: 359.23729082
• SMILES: N1(C(=O)C2CCCC2)CC(N2CCN(c3c(F)cccc3)CC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)N1CCN(CC1)c1ccccc1F)C1CCCC1
• InChI: InChI=1S/C21H30FN3O/c22-19-9-3-4-10-20(19)24-14-12-23(13-15-24)18-8-5-11-25(16-18)21(26)17-6-1-2-7-17/h3-4,9-10,17-18H,1-2,5-8,11-16H2
• InChIKey: OVOQAYLIKXAZJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopentanecarbonylpiperidin-3-yl)-4-(2-fluorophenyl)piperazine
• IUPAC Traditional name: 1-(1-cyclopentanecarbonylpiperidin-3-yl)-4-(2-fluorophenyl)piperazine
• Synonyms: 1-[1-(cyclopentylcarbonyl)-3-piperidinyl]-4-(2-fluorophenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.817474
• LogD (pH = 7.4): 3.264752
• Log P: 3.451148
• Molar Refractivity: 102.8558 cm^3
• Polarizability: 39.294632 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.61
• LOG S: -3.52
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3