2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione

C17H18N2O4 — CID 178005064

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
SMILESCc1cc2c(cc1C(C)C)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-8(2)10-7-12-11(6-9(10)3)16(22)19(17(12)23)13-4-5-14(20)18-15(13)21/h6-8,13H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyKMGLZFRLZBILGI-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.52
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione (PubChem CID 178005064) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
PubChem CID178005064
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
SMILESCc1cc2c(cc1C(C)C)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-8(2)10-7-12-11(6-9(10)3)16(22)19(17(12)23)13-4-5-14(20)18-15(13)21/h6-8,13H,4-5H2,1-3H3,(H,18,20,21)
InChIKeyKMGLZFRLZBILGI-UHFFFAOYSA-N
XLogP1.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-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

2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(1-iodoethyl)isoindole-1,3-dione
CID 174269765
2-(2,6-dioxopiperidin-3-yl)-7-propan-2-ylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138574865
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione (CID 178005064) is 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione is Cc1cc2c(cc1C(C)C)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione?
The InChIKey is KMGLZFRLZBILGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-8(2)10-7-12-11(6-9(10)3)16(22)19(17(12)23)13-4-5-14(20)18-15(13)21/h6-8,13H,4-5H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione has a molecular weight of 314.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 178005064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).