3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid

C14H15ClN2O4 — CID 122066378

IUPAC3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4/c1-8(14(20)21)13(19)17-7-6-16-12(18)11(17)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyCWMLIAKWGZIBLB-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.06
Rot. Bonds3

About 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid

3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid (PubChem CID 122066378) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
PubChem CID122066378
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4/c1-8(14(20)21)13(19)17-7-6-16-12(18)11(17)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyCWMLIAKWGZIBLB-UHFFFAOYSA-N
XLogP1.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
2-(2,4-dichlorophenyl)-3-oxopiperazine-1-carboxylic acid
CID 22037161
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid (CID 122066378) is 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)N1CCNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid?
The InChIKey is CWMLIAKWGZIBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-8(14(20)21)13(19)17-7-6-16-12(18)11(17)9-4-2-3-5-10(9)15/h2-5,8,11H,6-7H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid?
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid has a molecular weight of 310.74 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 122066378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).