2-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-2,3-dihydro-1H-isoindole

• ChemBase ID: 542205
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(C(=O)C2CCN(C(=O)C3CCCC3)CC2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(N1Cc2c(C1)cccc2)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C20H26N2O2/c23-19(15-5-1-2-6-15)21-11-9-16(10-12-21)20(24)22-13-17-7-3-4-8-18(17)14-22/h3-4,7-8,15-16H,1-2,5-6,9-14H2
• InChIKey: FCWVBYQNGZREQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-2,3-dihydro-1H-isoindole
• IUPAC Traditional name: 2-(1-cyclopentanecarbonylpiperidine-4-carbonyl)-1,3-dihydroisoindole
• Synonyms: 2-{[1-(cyclopentylcarbonyl)-4-piperidinyl]carbonyl}isoindoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.275217
• LogD (pH = 7.4): 2.275218
• Log P: 2.275218
• Molar Refractivity: 94.0252 cm^3
• Polarizability: 36.331825 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.61
• LOG S: -3.81
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2