3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione

C16H15N5O3 — CID 132542943

IUPAC3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(CN3Cc4ccccc4C3=O)nn2)C(=O)N1
InChIInChI=1S/C16H15N5O3/c22-14-6-5-13(15(23)17-14)21-9-11(18-19-21)8-20-7-10-3-1-2-4-12(10)16(20)24/h1-4,9,13H,5-8H2,(H,17,22,23)
InChIKeyZHJMGZVTNLMTDS-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.41
Rot. Bonds3

About 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione

3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione (PubChem CID 132542943) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione
PubChem CID132542943
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(n2cc(CN3Cc4ccccc4C3=O)nn2)C(=O)N1
InChIInChI=1S/C16H15N5O3/c22-14-6-5-13(15(23)17-14)21-9-11(18-19-21)8-20-7-10-3-1-2-4-12(10)16(20)24/h1-4,9,13H,5-8H2,(H,17,22,23)
InChIKeyZHJMGZVTNLMTDS-UHFFFAOYSA-N
XLogP0.41
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-[6-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167754871
4-[[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734523
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
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
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-[3-oxo-5-[4-[(4-phenylimidazol-1-yl)methyl]triazol-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167780794
3-[6-[4-[(4-hydroxypiperidin-1-yl)methyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167904853
3-[6-[4-(morpholin-4-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167799972
ethyl 3-[1-(2,6-dioxopiperidin-3-yl)triazol-4-yl]propanoate
CID 166431054

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione (CID 132542943) is 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione is O=C1CCC(n2cc(CN3Cc4ccccc4C3=O)nn2)C(=O)N1.
What is the InChIKey of 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione?
The InChIKey is ZHJMGZVTNLMTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-14-6-5-13(15(23)17-14)21-9-11(18-19-21)8-20-7-10-3-1-2-4-12(10)16(20)24/h1-4,9,13H,5-8H2,(H,17,22,23).
What are the key properties of 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione?
3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione has a molecular weight of 325.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 132542943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).