5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione

C14H12N4O4 — CID 171588270

IUPAC5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(nc3C2=O)CNC4)C(=O)N1
InChIInChI=1S/C14H12N4O4/c19-10-2-1-9(12(20)17-10)18-13(21)7-3-6-4-15-5-8(6)16-11(7)14(18)22/h3,9,15H,1-2,4-5H2,(H,17,19,20)
InChIKeyZDSWTZHFLDQGAT-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.91
Rot. Bonds1

About 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione

5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione (PubChem CID 171588270) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione.

Molecular Properties

Compound Name5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione
PubChem CID171588270
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(nc3C2=O)CNC4)C(=O)N1
InChIInChI=1S/C14H12N4O4/c19-10-2-1-9(12(20)17-10)18-13(21)7-3-6-4-15-5-8(6)16-11(7)14(18)22/h3,9,15H,1-2,4-5H2,(H,17,19,20)
InChIKeyZDSWTZHFLDQGAT-UHFFFAOYSA-N
XLogP-0.91
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
8-[(3R)-2,6-dioxopiperidin-3-yl]-2,3,4,5-tetrahydropyrrolo[3,4-h][1,4]benzoxazepine-7,9-dione
CID 164920224
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
4-amino-2-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-pyrrolo[3,4-e]isoindole-1,3-dione
CID 164920099
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
6-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-4-methylpyrrolo[3,4-c]pyridine-1,3-dione
CID 138046345
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
6-chloro-2-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905642

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione?
The IUPAC name of 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione (CID 171588270) is 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione.
What is the SMILES notation for 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione?
The canonical SMILES for 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione is O=C1CCC(N2C(=O)c3cc4c(nc3C2=O)CNC4)C(=O)N1.
What is the InChIKey of 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione?
The InChIKey is ZDSWTZHFLDQGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-10-2-1-9(12(20)17-10)18-13(21)7-3-6-4-15-5-8(6)16-11(7)14(18)22/h3,9,15H,1-2,4-5H2,(H,17,19,20).
What are the key properties of 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione?
5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione has a molecular weight of 300.27 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxopiperidin-3-yl)-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,6-dione is sourced from PubChem (CID 171588270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).