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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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).