1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C16H15ClN2O2S — CID 70763084

IUPAC1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c1-11-9-19(13-6-4-12(17)5-7-13)15(20)10-18(11)16(21)14-3-2-8-22-14/h2-8,11H,9-10H2,1H3
InChIKeyQYZZTSBYWATGIZ-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 70763084) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID70763084
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cccs1
InChIInChI=1S/C16H15ClN2O2S/c1-11-9-19(13-6-4-12(17)5-7-13)15(20)10-18(11)16(21)14-3-2-8-22-14/h2-8,11H,9-10H2,1H3
InChIKeyQYZZTSBYWATGIZ-UHFFFAOYSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
CID 96578164
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255580
1-(4-chlorophenyl)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70775777
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
1-(4-chlorophenyl)-4-[2-(2-methoxyethoxy)acetyl]-5-methylpiperazin-2-one
CID 70755323
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956
[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 83281297

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 70763084) is 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is CC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is QYZZTSBYWATGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-11-9-19(13-6-4-12(17)5-7-13)15(20)10-18(11)16(21)14-3-2-8-22-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 334.83 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 70763084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).