1-(2-thiophen-2-ylethyl)piperidine-2,4-dione

C11H13NO2S — CID 79516632

IUPAC1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
SMILESO=C1CCN(CCc2cccs2)C(=O)C1
InChIInChI=1S/C11H13NO2S/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h1-2,7H,3-6,8H2
InChIKeyOAVBYZKNDXUFLP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione

1-(2-thiophen-2-ylethyl)piperidine-2,4-dione (PubChem CID 79516632) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
PubChem CID79516632
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
SMILESO=C1CCN(CCc2cccs2)C(=O)C1
InChIInChI=1S/C11H13NO2S/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h1-2,7H,3-6,8H2
InChIKeyOAVBYZKNDXUFLP-UHFFFAOYSA-N
XLogP1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
CID 102710944
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
N-hydroxy-3-[6-oxo-1-(2-thiophen-2-ylethyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11437852
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
2-[3,6-dioxo-1,4-bis(2-thiophen-2-ylethyl)piperazin-2-yl]acetic acid
CID 68746029
1,2-dimethyl-2-thiophen-2-ylpiperidin-4-one
CID 83639401

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione?
The IUPAC name of 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione (CID 79516632) is 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione?
The canonical SMILES for 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione is O=C1CCN(CCc2cccs2)C(=O)C1.
What is the InChIKey of 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione?
The InChIKey is OAVBYZKNDXUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h1-2,7H,3-6,8H2.
What are the key properties of 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione?
1-(2-thiophen-2-ylethyl)piperidine-2,4-dione has a molecular weight of 223.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethyl)piperidine-2,4-dione is sourced from PubChem (CID 79516632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).