2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid

C11H10Cl2N2O3 — CID 22037161

IUPAC2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid
SMILESO=C1NCCN(C(=O)O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-6-1-2-7(8(13)5-6)9-10(16)14-3-4-15(9)11(17)18/h1-2,5,9H,3-4H2,(H,14,16)(H,17,18)
InChIKeySPIDGWGATZRATG-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.14
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid

2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid (PubChem CID 22037161) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid
PubChem CID22037161
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid
SMILESO=C1NCCN(C(=O)O)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-6-1-2-7(8(13)5-6)9-10(16)14-3-4-15(9)11(17)18/h1-2,5,9H,3-4H2,(H,14,16)(H,17,18)
InChIKeySPIDGWGATZRATG-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid 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 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid (CID 22037161) is 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid is O=C1NCCN(C(=O)O)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid?
The InChIKey is SPIDGWGATZRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c12-6-1-2-7(8(13)5-6)9-10(16)14-3-4-15(9)11(17)18/h1-2,5,9H,3-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid?
2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid has a molecular weight of 289.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 22037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).