[1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

C32H33N9O8 — CID 176669538

About [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate

[1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (PubChem CID 176669538) has the molecular formula C32H33N9O8 and a molecular weight of 671.67 g/mol. Its IUPAC name is [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

Molecular Properties

• Compound Name: [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• PubChem CID: 176669538
• Molecular Formula: C32H33N9O8
• Molecular Weight: 671.67 g/mol
• Exact Mass: 671.25
• IUPAC Name: [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
• SMILES: O=C1CCC(N2Cc3c(NC(=O)Cn4cc(COC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nn4)cccc3C2O)CN1
• InChI: InChI=1S/C32H33N9O8/c42-26-9-7-18(11-33-26)40-13-21-19(30(40)46)3-1-5-23(21)34-28(44)15-39-12-17(37-38-39)16-49-32(48)35-24-6-2-4-20-22(24)14-41(31(20)47)25-8-10-27(43)36-29(25)45/h1-6,12,18,25,30,46H,7-11,13-16H2,(H,33,42)(H,34,44)(H,35,48)(H,36,43,45)
• InChIKey: OGIYSELLFRHOBO-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 217.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.67
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The IUPAC name of [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate (CID 176669538) is [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate.

What is the SMILES notation for [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The canonical SMILES for [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is O=C1CCC(N2Cc3c(NC(=O)Cn4cc(COC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)nn4)cccc3C2O)CN1.

What is the InChIKey of [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

The InChIKey is OGIYSELLFRHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O8/c42-26-9-7-18(11-33-26)40-13-21-19(30(40)46)3-1-5-23(21)34-28(44)15-39-12-17(37-38-39)16-49-32(48)35-24-6-2-4-20-22(24)14-41(31(20)47)25-8-10-27(43)36-29(25)45/h1-6,12,18,25,30,46H,7-11,13-16H2,(H,33,42)(H,34,44)(H,35,48)(H,36,43,45).

What are the key properties of [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate?

[1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate has a molecular weight of 671.67 g/mol, XLogP of 0.51, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[1-hydroxy-2-(6-oxopiperidin-3-yl)-1,3-dihydroisoindol-4-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate is sourced from PubChem (CID 176669538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).