1-(5-methylthiophen-2-yl)piperazin-2-one

C9H12N2OS — CID 67085304

IUPAC1-(5-methylthiophen-2-yl)piperazin-2-one
SMILESCc1ccc(N2CCNCC2=O)s1
InChIInChI=1S/C9H12N2OS/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12/h2-3,10H,4-6H2,1H3
InChIKeyIZDSKDWRUSEZSF-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.99
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)piperazin-2-one

1-(5-methylthiophen-2-yl)piperazin-2-one (PubChem CID 67085304) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)piperazin-2-one
PubChem CID67085304
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-(5-methylthiophen-2-yl)piperazin-2-one
SMILESCc1ccc(N2CCNCC2=O)s1
InChIInChI=1S/C9H12N2OS/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12/h2-3,10H,4-6H2,1H3
InChIKeyIZDSKDWRUSEZSF-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 3239304
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 16189251
4-(4-acetyl-1-piperazinyl)-N-(2-thienylmethyl)aniline
CID 977038
N-[4-(4-acetylpiperazin-1-yl)phenyl]-N-[(5-methylthien-2-yl)methyl]amine
CID 6603583
5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
5-(4-methylpiperazin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480860
N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide
CID 49852919
2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666377
4-[2-(methylamino)-2-oxoethyl]-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
CID 71862272
N'-phenyl-N-(thiophen-2-ylmethyl)oxamide
CID 2891396

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)piperazin-2-one?
The IUPAC name of 1-(5-methylthiophen-2-yl)piperazin-2-one (CID 67085304) is 1-(5-methylthiophen-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)piperazin-2-one?
The canonical SMILES for 1-(5-methylthiophen-2-yl)piperazin-2-one is Cc1ccc(N2CCNCC2=O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)piperazin-2-one?
The InChIKey is IZDSKDWRUSEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-2-3-9(13-7)11-5-4-10-6-8(11)12/h2-3,10H,4-6H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)piperazin-2-one?
1-(5-methylthiophen-2-yl)piperazin-2-one has a molecular weight of 196.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)piperazin-2-one is sourced from PubChem (CID 67085304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).