4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione

C11H8I2N2O4 — CID 66084175

IUPAC4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(I)cc(I)c2O)CC(=O)N1
InChIInChI=1S/C11H8I2N2O4/c12-5-1-6(10(18)7(13)2-5)11(19)15-3-8(16)14-9(17)4-15/h1-2,18H,3-4H2,(H,14,16,17)
InChIKeyRPZZEULSSZQZRK-UHFFFAOYSA-N
MW486.00 g/mol
LogP0.70
Rot. Bonds1

About 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione

4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione (PubChem CID 66084175) has the molecular formula C11H8I2N2O4 and a molecular weight of 486.00 g/mol. Its IUPAC name is 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione
PubChem CID66084175
Molecular FormulaC11H8I2N2O4
Molecular Weight486.00 g/mol
Exact Mass485.86
IUPAC Name4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(I)cc(I)c2O)CC(=O)N1
InChIInChI=1S/C11H8I2N2O4/c12-5-1-6(10(18)7(13)2-5)11(19)15-3-8(16)14-9(17)4-15/h1-2,18H,3-4H2,(H,14,16,17)
InChIKeyRPZZEULSSZQZRK-UHFFFAOYSA-N
XLogP0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione (CID 66084175) is 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione is O=C1CN(C(=O)c2cc(I)cc(I)c2O)CC(=O)N1.
What is the InChIKey of 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione?
The InChIKey is RPZZEULSSZQZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8I2N2O4/c12-5-1-6(10(18)7(13)2-5)11(19)15-3-8(16)14-9(17)4-15/h1-2,18H,3-4H2,(H,14,16,17).
What are the key properties of 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione?
4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione has a molecular weight of 486.00 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66084175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).