3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one

C16H15ClN2O2S — CID 75477067

IUPAC3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c17-13-6-2-1-5-12(13)15-16(21)18-7-8-19(15)14(20)10-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2,(H,18,21)
InChIKeyRVPZWHIFCNQDGJ-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one

3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one (PubChem CID 75477067) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
PubChem CID75477067
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c17-13-6-2-1-5-12(13)15-16(21)18-7-8-19(15)14(20)10-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2,(H,18,21)
InChIKeyRVPZWHIFCNQDGJ-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110420284
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
CID 75503478
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one (CID 75477067) is 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one is O=C1NCCN(C(=O)Cc2cccs2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The InChIKey is RVPZWHIFCNQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-13-6-2-1-5-12(13)15-16(21)18-7-8-19(15)14(20)10-11-4-3-9-22-11/h1-6,9,15H,7-8,10H2,(H,18,21).
What are the key properties of 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one has a molecular weight of 334.83 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one is sourced from PubChem (CID 75477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).