3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione

C14H12N4O2 — CID 153390252

IUPAC3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2ccc3cc4cc[nH]c4nc32)C(=O)N1
InChIInChI=1S/C14H12N4O2/c19-11-2-1-10(14(20)16-11)18-6-4-9-7-8-3-5-15-12(8)17-13(9)18/h3-7,10H,1-2H2,(H,15,17)(H,16,19,20)
InChIKeyIOYGELZCQUNWLA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.50
Rot. Bonds1

About 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione

3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione (PubChem CID 153390252) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione
PubChem CID153390252
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2ccc3cc4cc[nH]c4nc32)C(=O)N1
InChIInChI=1S/C14H12N4O2/c19-11-2-1-10(14(20)16-11)18-6-4-9-7-8-3-5-15-12(8)17-13(9)18/h3-7,10H,1-2H2,(H,15,17)(H,16,19,20)
InChIKeyIOYGELZCQUNWLA-UHFFFAOYSA-N
XLogP1.50
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-(aminomethyl)-1-oxoisoquinolin-2-yl]piperidine-2,6-dione
CID 142469980
(3R)-3-(6-ethyl-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 166478748
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
CID 153310417
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423087
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
3-[5-fluoro-3-oxo-7-[1-(1H-pyrrolo[2,3-b]pyridin-6-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309980

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione (CID 153390252) is 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione is O=C1CCC(n2ccc3cc4cc[nH]c4nc32)C(=O)N1.
What is the InChIKey of 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione?
The InChIKey is IOYGELZCQUNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-11-2-1-10(14(20)16-11)18-6-4-9-7-8-3-5-15-12(8)17-13(9)18/h3-7,10H,1-2H2,(H,15,17)(H,16,19,20).
What are the key properties of 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione?
3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione has a molecular weight of 268.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 153390252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).