4-(1-cyclopentanecarbonylpyrrolidin-3-yl)-1-(2-phenylethyl)piperidine

• ChemBase ID: 532473
• Molecular Formular: C23H34N2O
• Molecular Mass: 354.52886
• Monoisotopic Mass: 354.26711372
• SMILES: N1(C(=O)C2CCCC2)CC(C2CCN(CC2)CCc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC(C1)C1CCN(CC1)CCc1ccccc1)C1CCCC1
• InChI: InChI=1S/C23H34N2O/c26-23(21-8-4-5-9-21)25-17-13-22(18-25)20-11-15-24(16-12-20)14-10-19-6-2-1-3-7-19/h1-3,6-7,20-22H,4-5,8-18H2
• InChIKey: FKGORLHZPZDBKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-cyclopentanecarbonylpyrrolidin-3-yl)-1-(2-phenylethyl)piperidine
• IUPAC Traditional name: 4-(1-cyclopentanecarbonylpyrrolidin-3-yl)-1-(2-phenylethyl)piperidine
• Synonyms: 4-[1-(cyclopentylcarbonyl)-3-pyrrolidinyl]-1-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4556313
• LogD (pH = 7.4): 1.7288213
• Log P: 3.8445935
• Molar Refractivity: 107.9152 cm^3
• Polarizability: 42.13087 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.4
• LOG S: -4.29
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5