4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione

C13H13Cl2N3O3 — CID 82813907

IUPAC4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O3/c1-2-9-12(20)17-10(19)5-18(9)13(21)6-3-7(14)11(16)8(15)4-6/h3-4,9H,2,5,16H2,1H3,(H,17,19,20)
InChIKeyCDPFMMQRARLUKX-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.45
Rot. Bonds2

About 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione

4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione (PubChem CID 82813907) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
PubChem CID82813907
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O3/c1-2-9-12(20)17-10(19)5-18(9)13(21)6-3-7(14)11(16)8(15)4-6/h3-4,9H,2,5,16H2,1H3,(H,17,19,20)
InChIKeyCDPFMMQRARLUKX-UHFFFAOYSA-N
XLogP1.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-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-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
3-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)benzonitrile
CID 66067733
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66069532
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione (CID 82813907) is 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is CDPFMMQRARLUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c1-2-9-12(20)17-10(19)5-18(9)13(21)6-3-7(14)11(16)8(15)4-6/h3-4,9H,2,5,16H2,1H3,(H,17,19,20).
What are the key properties of 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 330.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 82813907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).