4-(2,4-dichlorobenzoyl)piperazine-2,6-dione

C11H8Cl2N2O3 — CID 66085866

IUPAC4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2Cl)CC(=O)N1
InChIInChI=1S/C11H8Cl2N2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyAJWKPHDVAWFPTP-UHFFFAOYSA-N
MW287.10 g/mol
LogP1.09
Rot. Bonds1

About 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione

4-(2,4-dichlorobenzoyl)piperazine-2,6-dione (PubChem CID 66085866) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
PubChem CID66085866
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2ccc(Cl)cc2Cl)CC(=O)N1
InChIInChI=1S/C11H8Cl2N2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17)
InChIKeyAJWKPHDVAWFPTP-UHFFFAOYSA-N
XLogP1.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-fluorobenzoyl)piperazine-2,6-dione
CID 66084168
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
1-(2,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 55027869
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
4-(2-chloro-5-methylsulfanylbenzoyl)piperazine-2,6-dione
CID 66083196
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione (CID 66085866) is 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione is O=C1CN(C(=O)c2ccc(Cl)cc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione?
The InChIKey is AJWKPHDVAWFPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c12-6-1-2-7(8(13)3-6)11(18)15-4-9(16)14-10(17)5-15/h1-3H,4-5H2,(H,14,16,17).
What are the key properties of 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione?
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione has a molecular weight of 287.10 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorobenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66085866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).