3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

C16H20N2O2 — CID 130335320

IUPAC3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2c1CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H20N2O2/c1-10(2)12-5-3-4-11-8-18(9-13(11)12)14-6-7-15(19)17-16(14)20/h3-5,10,14H,6-9H2,1-2H3,(H,17,19,20)
InChIKeyLGNGGJKENHKRML-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds2

About 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (PubChem CID 130335320) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
PubChem CID130335320
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1cccc2c1CN(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C16H20N2O2/c1-10(2)12-5-3-4-11-8-18(9-13(11)12)14-6-7-15(19)17-16(14)20/h3-5,10,14H,6-9H2,1-2H3,(H,17,19,20)
InChIKeyLGNGGJKENHKRML-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-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

3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176509524
3-[4-(3,6-diazabicyclo[3.1.1]heptan-6-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906632
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906629
3-[4-[[4-(chloromethyl)phenyl]methylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 151513636
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098
3-[4-(4-piperazin-1-ylbutylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 154639394
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967
3-(2-oxo-4-propan-2-yl-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 163611115
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
2-(2,6-dioxopiperidin-3-yl)-N-(naphthalen-2-ylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229489

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (CID 130335320) is 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is CC(C)c1cccc2c1CN(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is LGNGGJKENHKRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)12-5-3-4-11-8-18(9-13(11)12)14-6-7-15(19)17-16(14)20/h3-5,10,14H,6-9H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 272.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 130335320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).