3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

C15H13ClN2O2S — CID 110657333

IUPAC3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccs2)C1c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2S/c16-11-5-2-1-4-10(11)13-14(19)17-7-8-18(13)15(20)12-6-3-9-21-12/h1-6,9,13H,7-8H2,(H,17,19)
InChIKeyCTNJDZUXUFNPEI-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.71
Rot. Bonds2

About 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 110657333) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID110657333
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccs2)C1c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2S/c16-11-5-2-1-4-10(11)13-14(19)17-7-8-18(13)15(20)12-6-3-9-21-12/h1-6,9,13H,7-8H2,(H,17,19)
InChIKeyCTNJDZUXUFNPEI-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (CID 110657333) is 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2cccs2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is CTNJDZUXUFNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-11-5-2-1-4-10(11)13-14(19)17-7-8-18(13)15(20)12-6-3-9-21-12/h1-6,9,13H,7-8H2,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 320.80 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 110657333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).