4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one

C13H18N2O2S — CID 63601701

IUPAC4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18N2O2S/c1-4-11-12(16)14-5-6-15(11)13(17)10-7-8(2)18-9(10)3/h7,11H,4-6H2,1-3H3,(H,14,16)
InChIKeyGLVIGIKQZSRAIK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.72
Rot. Bonds2

About 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one

4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 63601701) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
PubChem CID63601701
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18N2O2S/c1-4-11-12(16)14-5-6-15(11)13(17)10-7-8(2)18-9(10)3/h7,11H,4-6H2,1-3H3,(H,14,16)
InChIKeyGLVIGIKQZSRAIK-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
CID 63601340
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
3-ethyl-4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)piperazin-2-one
CID 81249127
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one (CID 63601701) is 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(C)sc1C.
What is the InChIKey of 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is GLVIGIKQZSRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-11-12(16)14-5-6-15(11)13(17)10-7-8(2)18-9(10)3/h7,11H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one?
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).