1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione

C12H12Cl2N2O2 — CID 64962337

IUPAC1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-2-8-12(18)16(6-10(17)15-8)9-5-3-4-7(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,15,17)
InChIKeySFSBXSFNIWXPSR-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.23
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione

1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione (PubChem CID 64962337) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
PubChem CID64962337
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-2-8-12(18)16(6-10(17)15-8)9-5-3-4-7(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,15,17)
InChIKeySFSBXSFNIWXPSR-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-ethylpiperazine-2,5-dione
CID 64971404
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
1-[(2,3-dichlorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 107310601
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-(5-bromo-2-iodophenyl)-3-ethylpiperazine-2,5-dione
CID 114261326
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
CID 64966626
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione (CID 64962337) is 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione is CCC1NC(=O)CN(c2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione?
The InChIKey is SFSBXSFNIWXPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-2-8-12(18)16(6-10(17)15-8)9-5-3-4-7(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,15,17).
What are the key properties of 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione?
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione has a molecular weight of 287.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).