2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione

C21H15N3O5 — CID 170628916

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2Cc3cc(N4C(=O)c5ccccc5C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H15N3O5/c25-17-8-7-16(18(26)22-17)23-10-11-9-12(5-6-13(11)19(23)27)24-20(28)14-3-1-2-4-15(14)21(24)29/h1-6,9,16H,7-8,10H2,(H,22,25,26)
InChIKeyNVLTUQVPBNXKIA-UHFFFAOYSA-N
MW389.37 g/mol
LogP1.25
Rot. Bonds2

About 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione

2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione (PubChem CID 170628916) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
PubChem CID170628916
Molecular FormulaC21H15N3O5
Molecular Weight389.37 g/mol
Exact Mass389.10
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2Cc3cc(N4C(=O)c5ccccc5C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H15N3O5/c25-17-8-7-16(18(26)22-17)23-10-11-9-12(5-6-13(11)19(23)27)24-20(28)14-3-1-2-4-15(14)21(24)29/h1-6,9,16H,7-8,10H2,(H,22,25,26)
InChIKeyNVLTUQVPBNXKIA-UHFFFAOYSA-N
XLogP1.25
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-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

3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-(4-aminopiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579838
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane
CID 178005351
3-[6-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628831
(3S)-3-[6-(4-tert-butylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841784
3-[6-(3-methyl-5-phenylpyrazol-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241091
3-(6-isocyano-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 140797643

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione (CID 170628916) is 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione is O=C1CCC(N2Cc3cc(N4C(=O)c5ccccc5C4=O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione?
The InChIKey is NVLTUQVPBNXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c25-17-8-7-16(18(26)22-17)23-10-11-9-12(5-6-13(11)19(23)27)24-20(28)14-3-1-2-4-15(14)21(24)29/h1-6,9,16H,7-8,10H2,(H,22,25,26).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione?
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione has a molecular weight of 389.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 170628916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).