3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one

C13H14I2N2O3 — CID 63601340

IUPAC3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H14I2N2O3/c1-2-10-12(19)16-3-4-17(10)13(20)8-5-7(14)6-9(15)11(8)18/h5-6,10,18H,2-4H2,1H3,(H,16,19)
InChIKeyURSQANGWLSFDNS-UHFFFAOYSA-N
MW500.07 g/mol
LogP1.95
Rot. Bonds2

About 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one

3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one (PubChem CID 63601340) has the molecular formula C13H14I2N2O3 and a molecular weight of 500.07 g/mol. Its IUPAC name is 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
PubChem CID63601340
Molecular FormulaC13H14I2N2O3
Molecular Weight500.07 g/mol
Exact Mass499.91
IUPAC Name3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H14I2N2O3/c1-2-10-12(19)16-3-4-17(10)13(20)8-5-7(14)6-9(15)11(8)18/h5-6,10,18H,2-4H2,1H3,(H,16,19)
InChIKeyURSQANGWLSFDNS-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.07
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one 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

4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one
CID 55217673
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-(5-amino-2-bromobenzoyl)-3-ethylpiperazin-2-one
CID 55215755
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
3-ethyl-4-(2-methyl-5-nitrobenzoyl)piperazin-2-one
CID 63602604

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one (CID 63601340) is 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one?
The InChIKey is URSQANGWLSFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14I2N2O3/c1-2-10-12(19)16-3-4-17(10)13(20)8-5-7(14)6-9(15)11(8)18/h5-6,10,18H,2-4H2,1H3,(H,16,19).
What are the key properties of 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one?
3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one has a molecular weight of 500.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one is sourced from PubChem (CID 63601340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).