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

C24H24N4O5 — CID 167063564

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O5/c29-17-9-11-27(12-10-17)16-4-1-14(2-5-16)25-15-3-6-18-19(13-15)24(33)28(23(18)32)20-7-8-21(30)26-22(20)31/h1-6,13,17,20,25,29H,7-12H2,(H,26,30,31)
InChIKeyRJLOTNPQALBYPK-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.79
Rot. Bonds4

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione (PubChem CID 167063564) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione
PubChem CID167063564
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C24H24N4O5/c29-17-9-11-27(12-10-17)16-4-1-14(2-5-16)25-15-3-6-18-19(13-15)24(33)28(23(18)32)20-7-8-21(30)26-22(20)31/h1-6,13,17,20,25,29H,7-12H2,(H,26,30,31)
InChIKeyRJLOTNPQALBYPK-UHFFFAOYSA-N
XLogP1.79
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]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-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carboxylic acid
CID 134413856
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-N-methylacetamide
CID 175659721
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-(hydroxymethyl)azetidin-1-yl]piperidin-1-yl]isoindole-1,3-dione
CID 156866954
(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
CID 146485017

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione (CID 167063564) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione?
The InChIKey is RJLOTNPQALBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c29-17-9-11-27(12-10-17)16-4-1-14(2-5-16)25-15-3-6-18-19(13-15)24(33)28(23(18)32)20-7-8-21(30)26-22(20)31/h1-6,13,17,20,25,29H,7-12H2,(H,26,30,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione has a molecular weight of 448.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-(4-hydroxypiperidin-1-yl)anilino]isoindole-1,3-dione is sourced from PubChem (CID 167063564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).