4-(3-iodobenzoyl)piperazin-2-one

C11H11IN2O2 — CID 10381947

IUPAC4-(3-iodobenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccc(I)c2)CCN1
InChIInChI=1S/C11H11IN2O2/c12-9-3-1-2-8(6-9)11(16)14-5-4-13-10(15)7-14/h1-3,6H,4-5,7H2,(H,13,15)
InChIKeyWRNCVSIWIXQFNZ-UHFFFAOYSA-N
MW330.12 g/mol
LogP0.86
Rot. Bonds1

About 4-(3-iodobenzoyl)piperazin-2-one

4-(3-iodobenzoyl)piperazin-2-one (PubChem CID 10381947) has the molecular formula C11H11IN2O2 and a molecular weight of 330.12 g/mol. Its IUPAC name is 4-(3-iodobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-iodobenzoyl)piperazin-2-one
PubChem CID10381947
Molecular FormulaC11H11IN2O2
Molecular Weight330.12 g/mol
Exact Mass329.99
IUPAC Name4-(3-iodobenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccc(I)c2)CCN1
InChIInChI=1S/C11H11IN2O2/c12-9-3-1-2-8(6-9)11(16)14-5-4-13-10(15)7-14/h1-3,6H,4-5,7H2,(H,13,15)
InChIKeyWRNCVSIWIXQFNZ-UHFFFAOYSA-N
XLogP0.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-iodobenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-iodobenzoyl)piperazin-2-one (CID 10381947) is 4-(3-iodobenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-iodobenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-iodobenzoyl)piperazin-2-one is O=C1CN(C(=O)c2cccc(I)c2)CCN1.
What is the InChIKey of 4-(3-iodobenzoyl)piperazin-2-one?
The InChIKey is WRNCVSIWIXQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c12-9-3-1-2-8(6-9)11(16)14-5-4-13-10(15)7-14/h1-3,6H,4-5,7H2,(H,13,15).
What are the key properties of 4-(3-iodobenzoyl)piperazin-2-one?
4-(3-iodobenzoyl)piperazin-2-one has a molecular weight of 330.12 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodobenzoyl)piperazin-2-one is sourced from PubChem (CID 10381947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).