1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride

C15H21Cl2N3O3S — CID 120738462

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCCS1(=O)=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3S.ClH/c16-13-5-2-1-4-12(13)14-10-17-6-8-19(14)15(20)11-18-7-3-9-23(18,21)22;/h1-2,4-5,14,17H,3,6-11H2;1H
InChIKeyHCFNDPKCGXZKOA-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride (PubChem CID 120738462) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride
PubChem CID120738462
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCCS1(=O)=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3S.ClH/c16-13-5-2-1-4-12(13)14-10-17-6-8-19(14)15(20)11-18-7-3-9-23(18,21)22;/h1-2,4-5,14,17H,3,6-11H2;1H
InChIKeyHCFNDPKCGXZKOA-UHFFFAOYSA-N
XLogP1.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride with MolForge

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120738581
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 120739581
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxothiolan-3-yl)sulfanylethanone
CID 120739386
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one;hydrochloride
CID 120738248
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride (CID 120738462) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride is Cl.O=C(CN1CCCS1(=O)=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride?
The InChIKey is HCFNDPKCGXZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S.ClH/c16-13-5-2-1-4-12(13)14-10-17-6-8-19(14)15(20)11-18-7-3-9-23(18,21)22;/h1-2,4-5,14,17H,3,6-11H2;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride has a molecular weight of 394.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 120738462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).