1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione

C14H14Cl2N2O3 — CID 79936015

IUPAC1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(=O)c2cc(Cl)ccc2Cl)CC1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-2-17-7-14(21)18(8-13(17)20)6-12(19)10-5-9(15)3-4-11(10)16/h3-5H,2,6-8H2,1H3
InChIKeyKRBGTADSSUIDBE-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione

1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione (PubChem CID 79936015) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
PubChem CID79936015
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(=O)c2cc(Cl)ccc2Cl)CC1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-2-17-7-14(21)18(8-13(17)20)6-12(19)10-5-9(15)3-4-11(10)16/h3-5H,2,6-8H2,1H3
InChIKeyKRBGTADSSUIDBE-UHFFFAOYSA-N
XLogP1.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione (CID 79936015) is 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CC(=O)c2cc(Cl)ccc2Cl)CC1=O.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is KRBGTADSSUIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-2-17-7-14(21)18(8-13(17)20)6-12(19)10-5-9(15)3-4-11(10)16/h3-5H,2,6-8H2,1H3.
What are the key properties of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione?
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 329.18 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79936015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).