1-[2-(3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-cyclopropylpiperidine-3-carboxamide

• ChemBase ID: 390740
• Molecular Formular: C23H22ClN3O3
• Molecular Mass: 423.89208
• Monoisotopic Mass: 423.13496926
• SMILES: N1(C(=O)c2c(C1=O)cccc2N1CC(C(=O)NC2CC2)CCC1)c1cc(Cl)ccc1
• Canonical SMILES: O=C(C1CCCN(C1)c1cccc2c1C(=O)N(C2=O)c1cccc(c1)Cl)NC1CC1
• InChI: InChI=1S/C23H22ClN3O3/c24-15-5-1-6-17(12-15)27-22(29)18-7-2-8-19(20(18)23(27)30)26-11-3-4-14(13-26)21(28)25-16-9-10-16/h1-2,5-8,12,14,16H,3-4,9-11,13H2,(H,25,28)
• InChIKey: DZNQBLIJCQLLKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-[2-(3-chlorophenyl)-1,3-dioxoisoindol-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• Synonyms: 1-[2-(3-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-cyclopropyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.848673
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3984456
• LogD (pH = 7.4): 3.398462
• Log P: 3.3984623
• Molar Refractivity: 115.3805 cm^3
• Polarizability: 43.451237 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.88
• LOG S: -5.69
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 4