ethyl 1-[1-(2-cyclopentyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)piperidine-4-carbonyl]piperidine-2-carboxylate

• ChemBase ID: 579779
• Molecular Formular: C27H35N3O5
• Molecular Mass: 481.5839
• Monoisotopic Mass: 481.25767124
• SMILES: N1(C(=O)c2c(C1=O)cccc2N1CCC(C(=O)N2C(C(=O)OCC)CCCC2)CC1)C1CCCC1
• Canonical SMILES: CCOC(=O)C1CCCCN1C(=O)C1CCN(CC1)c1cccc2c1C(=O)N(C2=O)C1CCCC1
• InChI: InChI=1S/C27H35N3O5/c1-2-35-27(34)22-11-5-6-15-29(22)24(31)18-13-16-28(17-14-18)21-12-7-10-20-23(21)26(33)30(25(20)32)19-8-3-4-9-19/h7,10,12,18-19,22H,2-6,8-9,11,13-17H2,1H3
• InChIKey: PRIMALNWQCUJDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[1-(2-cyclopentyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)piperidine-4-carbonyl]piperidine-2-carboxylate
• IUPAC Traditional name: ethyl 1-[1-(2-cyclopentyl-1,3-dioxoisoindol-4-yl)piperidine-4-carbonyl]piperidine-2-carboxylate
• Synonyms: ethyl 1-{[1-(2-cyclopentyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-piperidinyl]carbonyl}-2-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.136251
• LogD (pH = 7.4): 3.1363711
• Log P: 3.1363728
• Molar Refractivity: 132.5404 cm^3
• Polarizability: 50.093452 Å^3
• Polar Surface Area: 87.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.22
• LOG S: -6.35
• Polar Surface Area: 87.23 Å^2
• Rotatable Bonds: 4