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

C13H12Cl2N2O3 — CID 66069654

IUPAC4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-2-9-12(19)16-10(18)6-17(9)13(20)11-7(14)4-3-5-8(11)15/h3-5,9H,2,6H2,1H3,(H,16,18,19)
InChIKeyRFHPJIKXHREQCL-UHFFFAOYSA-N
MW315.16 g/mol
LogP1.87
Rot. Bonds2

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

4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069654) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069654
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-2-9-12(19)16-10(18)6-17(9)13(20)11-7(14)4-3-5-8(11)15/h3-5,9H,2,6H2,1H3,(H,16,18,19)
InChIKeyRFHPJIKXHREQCL-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 51.87
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-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
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-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(2,3-dihydro-1H-indene-2-carbonyl)-3-ethylpiperazine-2,6-dione
CID 106893244
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione (CID 66069654) is 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is RFHPJIKXHREQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-2-9-12(19)16-10(18)6-17(9)13(20)11-7(14)4-3-5-8(11)15/h3-5,9H,2,6H2,1H3,(H,16,18,19).
What are the key properties of 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione?
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 315.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).