3-indazol-2-ylpiperidine-2,6-dione

C12H11N3O2 — CID 138467082

IUPAC3-indazol-2-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccccc3n2)C(=O)N1
InChIInChI=1S/C12H11N3O2/c16-11-6-5-10(12(17)13-11)15-7-8-3-1-2-4-9(8)14-15/h1-4,7,10H,5-6H2,(H,13,16,17)
InChIKeyHRKTYZUEYCGSFG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.01
Rot. Bonds1

About 3-indazol-2-ylpiperidine-2,6-dione

3-indazol-2-ylpiperidine-2,6-dione (PubChem CID 138467082) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-indazol-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-indazol-2-ylpiperidine-2,6-dione
PubChem CID138467082
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-indazol-2-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccccc3n2)C(=O)N1
InChIInChI=1S/C12H11N3O2/c16-11-6-5-10(12(17)13-11)15-7-8-3-1-2-4-9(8)14-15/h1-4,7,10H,5-6H2,(H,13,16,17)
InChIKeyHRKTYZUEYCGSFG-UHFFFAOYSA-N
XLogP1.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)indazol-5-yl]acetaldehyde
CID 166948259
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
CID 153310417
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099
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-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320

Frequently Asked Questions

What is the IUPAC name of 3-indazol-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-indazol-2-ylpiperidine-2,6-dione (CID 138467082) is 3-indazol-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-indazol-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-indazol-2-ylpiperidine-2,6-dione is O=C1CCC(n2cc3ccccc3n2)C(=O)N1.
What is the InChIKey of 3-indazol-2-ylpiperidine-2,6-dione?
The InChIKey is HRKTYZUEYCGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-6-5-10(12(17)13-11)15-7-8-3-1-2-4-9(8)14-15/h1-4,7,10H,5-6H2,(H,13,16,17).
What are the key properties of 3-indazol-2-ylpiperidine-2,6-dione?
3-indazol-2-ylpiperidine-2,6-dione has a molecular weight of 229.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 138467082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).