3-indazol-1-ylpiperidine-2,6-dione;hydrochloride

C12H12ClN3O2 — CID 155251099

IUPAC3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(n2ncc3ccccc32)C(=O)N1
InChIInChI=1S/C12H11N3O2.ClH/c16-11-6-5-10(12(17)14-11)15-9-4-2-1-3-8(9)7-13-15;/h1-4,7,10H,5-6H2,(H,14,16,17);1H
InChIKeyPMRKIYKAQMIQBM-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.44
Rot. Bonds1

About 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride

3-indazol-1-ylpiperidine-2,6-dione;hydrochloride (PubChem CID 155251099) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
PubChem CID155251099
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(n2ncc3ccccc32)C(=O)N1
InChIInChI=1S/C12H11N3O2.ClH/c16-11-6-5-10(12(17)14-11)15-9-4-2-1-3-8(9)7-13-15;/h1-4,7,10H,5-6H2,(H,14,16,17);1H
InChIKeyPMRKIYKAQMIQBM-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.44
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

3-(1-oxophthalazin-2-yl)pyrrolidine-2,5-dione
CID 178180661
3-[7-(hydroxymethyl)-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 172555183
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-imidazo[1,2-a]benzimidazol-3-ylpiperidine-2,6-dione
CID 153310417
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
[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-indazol-1-ylcyclobutyl)carbamate
CID 176717897
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride (CID 155251099) is 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(n2ncc3ccccc32)C(=O)N1.
What is the InChIKey of 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride?
The InChIKey is PMRKIYKAQMIQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.ClH/c16-11-6-5-10(12(17)14-11)15-9-4-2-1-3-8(9)7-13-15;/h1-4,7,10H,5-6H2,(H,14,16,17);1H.
What are the key properties of 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride?
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpiperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 155251099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).