3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione

C11H10N4O2S — CID 150360407

IUPAC3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3cccs3)nn2)C(=O)N1
InChIInChI=1S/C11H10N4O2S/c16-10-4-3-8(11(17)12-10)15-6-7(13-14-15)9-2-1-5-18-9/h1-2,5-6,8H,3-4H2,(H,12,16,17)
InChIKeyGVPCOFMAPDQIMI-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.98
Rot. Bonds2

About 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione

3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione (PubChem CID 150360407) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
PubChem CID150360407
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cc(-c3cccs3)nn2)C(=O)N1
InChIInChI=1S/C11H10N4O2S/c16-10-4-3-8(11(17)12-10)15-6-7(13-14-15)9-2-1-5-18-9/h1-2,5-6,8H,3-4H2,(H,12,16,17)
InChIKeyGVPCOFMAPDQIMI-UHFFFAOYSA-N
XLogP0.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.98
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

3-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]piperidine-2,6-dione
CID 132542942
4-bromo-2-methylthiophene;3-[4-(5-methylthiophen-3-yl)triazol-1-yl]piperidine-2,6-dione
CID 175493443
2-(2,6-dioxopiperidin-3-yl)-5-[1-(2-oxoazepan-3-yl)triazol-4-yl]isoindole-1,3-dione
CID 167826196
N-[[4-[1-(2,6-dioxopiperidin-3-yl)triazol-4-yl]thiophen-2-yl]methyl]-4-formylbenzamide
CID 177059959
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
3-[4-[(3-oxo-1H-isoindol-2-yl)methyl]triazol-1-yl]piperidine-2,6-dione
CID 132542943
3-[4-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 153329201
3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
3-[4-[4-[[4-(2-morpholin-4-ylethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 150892676
3-[4-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 150374179
morpholine;3-[4-[4-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]thiophen-3-yl]triazol-1-yl]piperidine-2,6-dione
CID 175493438
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione (CID 150360407) is 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione is O=C1CCC(n2cc(-c3cccs3)nn2)C(=O)N1.
What is the InChIKey of 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione?
The InChIKey is GVPCOFMAPDQIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-10-4-3-8(11(17)12-10)15-6-7(13-14-15)9-2-1-5-18-9/h1-2,5-6,8H,3-4H2,(H,12,16,17).
What are the key properties of 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione?
3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione has a molecular weight of 262.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-2-yltriazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 150360407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).