5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C24H28N4O5 — CID 171406896

IUPAC5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H28N4O5/c29-20-9-8-19(21(30)25-20)28-23(32)17-7-6-16(14-18(17)24(28)33)26-10-12-27(13-11-26)22(31)15-4-2-1-3-5-15/h6-7,14-15,19H,1-5,8-13H2,(H,25,29,30)
InChIKeyXHPRNUNITKQJHW-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.32
Rot. Bonds3

About 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171406896) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID171406896
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H28N4O5/c29-20-9-8-19(21(30)25-20)28-23(32)17-7-6-16(14-18(17)24(28)33)26-10-12-27(13-11-26)22(31)15-4-2-1-3-5-15/h6-7,14-15,19H,1-5,8-13H2,(H,25,29,30)
InChIKeyXHPRNUNITKQJHW-UHFFFAOYSA-N
XLogP1.32
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 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

5-[3-[4-(cyclohexanecarbonyl)piperazin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156709713
5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171406991
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-2-carboxylic acid
CID 171158118
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carboxylic acid
CID 134413856
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
benzyl 4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 165137175
5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776
[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]acetyl] 2,2,2-trifluoroacetate
CID 162482472
5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 168882586

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171406896) is 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(C(=O)C5CCCCC5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is XHPRNUNITKQJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c29-20-9-8-19(21(30)25-20)28-23(32)17-7-6-16(14-18(17)24(28)33)26-10-12-27(13-11-26)22(31)15-4-2-1-3-5-15/h6-7,14-15,19H,1-5,8-13H2,(H,25,29,30).
What are the key properties of 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 452.51 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171406896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).