4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione

C12H11ClN2O4 — CID 66085312

IUPAC4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)COc2ccc(Cl)cc2)CC(=O)N1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-3-9(4-2-8)19-7-12(18)15-5-10(16)14-11(17)6-15/h1-4H,5-7H2,(H,14,16,17)
InChIKeyRJAMPCFQGNAOAH-UHFFFAOYSA-N
MW282.68 g/mol
LogP0.20
Rot. Bonds3

About 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione

4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione (PubChem CID 66085312) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
PubChem CID66085312
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)COc2ccc(Cl)cc2)CC(=O)N1
InChIInChI=1S/C12H11ClN2O4/c13-8-1-3-9(4-2-8)19-7-12(18)15-5-10(16)14-11(17)6-15/h1-4H,5-7H2,(H,14,16,17)
InChIKeyRJAMPCFQGNAOAH-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione 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

4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
CID 66082939
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
CID 66085533
2-(4-chlorophenoxy)-N-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 4825746
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
4-[3-(4-aminophenoxy)propanoyl]piperazine-2,6-dione
CID 66084254
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione (CID 66085312) is 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione is O=C1CN(C(=O)COc2ccc(Cl)cc2)CC(=O)N1.
What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione?
The InChIKey is RJAMPCFQGNAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c13-8-1-3-9(4-2-8)19-7-12(18)15-5-10(16)14-11(17)6-15/h1-4H,5-7H2,(H,14,16,17).
What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione?
4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione has a molecular weight of 282.68 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66085312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).