3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione

C14H15Cl3N2O2 — CID 64962096

IUPAC3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H15Cl3N2O2/c1-4-14(3)13(21)19(7(2)12(20)18-14)11-6-9(16)8(15)5-10(11)17/h5-7H,4H2,1-3H3,(H,18,20)
InChIKeyJGSKGHHXPYHEGW-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.67
Rot. Bonds2

About 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione (PubChem CID 64962096) has the molecular formula C14H15Cl3N2O2 and a molecular weight of 349.65 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
PubChem CID64962096
Molecular FormulaC14H15Cl3N2O2
Molecular Weight349.65 g/mol
Exact Mass348.02
IUPAC Name3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cc(Cl)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H15Cl3N2O2/c1-4-14(3)13(21)19(7(2)12(20)18-14)11-6-9(16)8(15)5-10(11)17/h5-7H,4H2,1-3H3,(H,18,20)
InChIKeyJGSKGHHXPYHEGW-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
1-(2-chloro-4,6-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 83075422
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107608176
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64962763
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione (CID 64962096) is 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2cc(Cl)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
The InChIKey is JGSKGHHXPYHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N2O2/c1-4-14(3)13(21)19(7(2)12(20)18-14)11-6-9(16)8(15)5-10(11)17/h5-7H,4H2,1-3H3,(H,18,20).
What are the key properties of 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione has a molecular weight of 349.65 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64962096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).