2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone

C10H13ClN2OS — CID 82130418

IUPAC2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)7-10(14)13-5-3-12-4-6-13/h1-2,12H,3-7H2
InChIKeyYQESYHBYXAVYIS-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.38
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone

2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82130418) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
PubChem CID82130418
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)7-10(14)13-5-3-12-4-6-13/h1-2,12H,3-7H2
InChIKeyYQESYHBYXAVYIS-UHFFFAOYSA-N
XLogP1.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82511968
1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
CID 110767679
1-[4-[2-(5-chlorothiophen-2-yl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815872
2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
2-(5-chlorothiophen-2-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816949
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
1-(azetidin-1-yl)-3-(5-chlorothiophen-2-yl)propan-1-one
CID 60559847
N-tert-butyl-4-[2-(5-chlorothiophen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813839
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813837

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone (CID 82130418) is 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone is O=C(Cc1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is YQESYHBYXAVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)7-10(14)13-5-3-12-4-6-13/h1-2,12H,3-7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone?
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 244.75 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82130418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).