4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one

C12H16N2O2S — CID 60680384

IUPAC4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
SMILESCCc1ccc(C(=O)CN2CCNC(=O)C2)s1
InChIInChI=1S/C12H16N2O2S/c1-2-9-3-4-11(17-9)10(15)7-14-6-5-13-12(16)8-14/h3-4H,2,5-8H2,1H3,(H,13,16)
InChIKeyGSMOTXBITRFFQO-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.93
Rot. Bonds4

About 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one

4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 60680384) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
PubChem CID60680384
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one
SMILESCCc1ccc(C(=O)CN2CCNC(=O)C2)s1
InChIInChI=1S/C12H16N2O2S/c1-2-9-3-4-11(17-9)10(15)7-14-6-5-13-12(16)8-14/h3-4H,2,5-8H2,1H3,(H,13,16)
InChIKeyGSMOTXBITRFFQO-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627
2-(4-cyclopropylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61445237
1-(5-ethylthiophen-2-yl)-2-(4-methylsulfanylpiperidin-1-yl)ethanone
CID 114237526
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680436
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113418108
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61219184
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 63634796
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 114082271
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019524

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one (CID 60680384) is 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one is CCc1ccc(C(=O)CN2CCNC(=O)C2)s1.
What is the InChIKey of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is GSMOTXBITRFFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-9-3-4-11(17-9)10(15)7-14-6-5-13-12(16)8-14/h3-4H,2,5-8H2,1H3,(H,13,16).
What are the key properties of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one?
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 252.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 60680384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).