1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

C17H18Cl2N2O2S — CID 120739301

IUPAC1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H17ClN2O2S.ClH/c1-11(21)12-8-16(23-10-12)17(22)20-7-6-19-9-15(20)13-4-2-3-5-14(13)18;/h2-5,8,10,15,19H,6-7,9H2,1H3;1H
InChIKeyUYGVDRIPKDWNEN-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.81
Rot. Bonds3

About 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (PubChem CID 120739301) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
PubChem CID120739301
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H17ClN2O2S.ClH/c1-11(21)12-8-16(23-10-12)17(22)20-7-6-19-9-15(20)13-4-2-3-5-14(13)18;/h2-5,8,10,15,19H,6-7,9H2,1H3;1H
InChIKeyUYGVDRIPKDWNEN-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride 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

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
CID 120739287
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 120739064
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120741106
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
CID 120739264
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone;dihydrochloride
CID 120738567
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (CID 120739301) is 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is CC(=O)c1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl.
What is the InChIKey of 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The InChIKey is UYGVDRIPKDWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S.ClH/c1-11(21)12-8-16(23-10-12)17(22)20-7-6-19-9-15(20)13-4-2-3-5-14(13)18;/h2-5,8,10,15,19H,6-7,9H2,1H3;1H.
What are the key properties of 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride has a molecular weight of 385.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 120739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).