[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate

C22H23N3O6 — CID 171588250

IUPAC[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate
SMILESO=COC1CCC(N2Cc3cc4c(cc3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1
InChIInChI=1S/C22H23N3O6/c26-11-31-15-3-1-14(2-4-15)24-9-12-7-16-17(8-13(12)10-24)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h7-8,11,14-15,18H,1-6,9-10H2,(H,23,27,28)
InChIKeyNPAHGCIRJSEOEL-UHFFFAOYSA-N
MW425.44 g/mol
LogP0.89
Rot. Bonds4

About [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate

[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate (PubChem CID 171588250) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate.

Molecular Properties

Compound Name[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate
PubChem CID171588250
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate
SMILESO=COC1CCC(N2Cc3cc4c(cc3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1
InChIInChI=1S/C22H23N3O6/c26-11-31-15-3-1-14(2-4-15)24-9-12-7-16-17(8-13(12)10-24)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h7-8,11,14-15,18H,1-6,9-10H2,(H,23,27,28)
InChIKeyNPAHGCIRJSEOEL-UHFFFAOYSA-N
XLogP0.89
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
2-(2,6-dioxopiperidin-3-yl)-6-[(6-fluoro-3-pyridinyl)methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 171588120
2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]oxyacetaldehyde
CID 171481270
2-(2,6-dioxopiperidin-3-yl)-5-[[(1R,2R)-2-(3-ethoxyazetidin-1-yl)cyclohexyl]-methylamino]isoindole-1,3-dione
CID 149179120
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate?
The IUPAC name of [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate (CID 171588250) is [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate.
What is the SMILES notation for [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate?
The canonical SMILES for [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate is O=COC1CCC(N2Cc3cc4c(cc3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1.
What is the InChIKey of [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate?
The InChIKey is NPAHGCIRJSEOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c26-11-31-15-3-1-14(2-4-15)24-9-12-7-16-17(8-13(12)10-24)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h7-8,11,14-15,18H,1-6,9-10H2,(H,23,27,28).
What are the key properties of [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate?
[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate has a molecular weight of 425.44 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]cyclohexyl] formate is sourced from PubChem (CID 171588250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).