4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one

C12H12I2N2O3 — CID 55217673

IUPAC4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C12H12I2N2O3/c1-6-11(18)15-2-3-16(6)12(19)8-4-7(13)5-9(14)10(8)17/h4-6,17H,2-3H2,1H3,(H,15,18)
InChIKeyAEQSMEQGCOWVER-UHFFFAOYSA-N
MW486.05 g/mol
LogP1.56
Rot. Bonds1

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

4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one (PubChem CID 55217673) has the molecular formula C12H12I2N2O3 and a molecular weight of 486.05 g/mol. Its IUPAC name is 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one
PubChem CID55217673
Molecular FormulaC12H12I2N2O3
Molecular Weight486.05 g/mol
Exact Mass485.89
IUPAC Name4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C12H12I2N2O3/c1-6-11(18)15-2-3-16(6)12(19)8-4-7(13)5-9(14)10(8)17/h4-6,17H,2-3H2,1H3,(H,15,18)
InChIKeyAEQSMEQGCOWVER-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.05
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(2-hydroxy-3,5-diiodobenzoyl)piperazin-2-one
CID 63601340
4-(3,5-dichloro-2-iodobenzoyl)-3-methylpiperazin-2-one
CID 63606222
4-(2-iodo-5-nitrobenzoyl)-3-methylpiperazin-2-one
CID 63608251
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-acetyl-3-methylpiperazin-2-one
CID 13190467

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one (CID 55217673) is 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one?
The InChIKey is AEQSMEQGCOWVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12I2N2O3/c1-6-11(18)15-2-3-16(6)12(19)8-4-7(13)5-9(14)10(8)17/h4-6,17H,2-3H2,1H3,(H,15,18).
What are the key properties of 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one?
4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one has a molecular weight of 486.05 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 55217673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).