1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride

C18H24Cl2N4O3 — CID 120739581

IUPAC1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCNCC2c2ccccc2Cl)C(=O)C1=O.Cl
InChIInChI=1S/C18H23ClN4O3.ClH/c1-2-21-9-10-22(18(26)17(21)25)12-16(24)23-8-7-20-11-15(23)13-5-3-4-6-14(13)19;/h3-6,15,20H,2,7-12H2,1H3;1H
InChIKeyUTIYCDHVHCUXSA-UHFFFAOYSA-N
MW415.32 g/mol
LogP0.93
Rot. Bonds4

About 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride

1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride (PubChem CID 120739581) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
PubChem CID120739581
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC Name1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCNCC2c2ccccc2Cl)C(=O)C1=O.Cl
InChIInChI=1S/C18H23ClN4O3.ClH/c1-2-21-9-10-22(18(26)17(21)25)12-16(24)23-8-7-20-11-15(23)13-5-3-4-6-14(13)19;/h3-6,15,20H,2,7-12H2,1H3;1H
InChIKeyUTIYCDHVHCUXSA-UHFFFAOYSA-N
XLogP0.93
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;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

1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
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-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
2-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 120739215
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
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-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride (CID 120739581) is 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride is CCN1CCN(CC(=O)N2CCNCC2c2ccccc2Cl)C(=O)C1=O.Cl.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The InChIKey is UTIYCDHVHCUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3.ClH/c1-2-21-9-10-22(18(26)17(21)25)12-16(24)23-8-7-20-11-15(23)13-5-3-4-6-14(13)19;/h3-6,15,20H,2,7-12H2,1H3;1H.
What are the key properties of 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride has a molecular weight of 415.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride is sourced from PubChem (CID 120739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).