4-(5-iodothiophene-3-carbonyl)piperazin-2-one

C9H9IN2O2S — CID 56783410

IUPAC4-(5-iodothiophene-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(I)c2)CCN1
InChIInChI=1S/C9H9IN2O2S/c10-7-3-6(5-15-7)9(14)12-2-1-11-8(13)4-12/h3,5H,1-2,4H2,(H,11,13)
InChIKeyHTVFNUPZDCEDOX-UHFFFAOYSA-N
MW336.15 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-iodothiophene-3-carbonyl)piperazin-2-one

4-(5-iodothiophene-3-carbonyl)piperazin-2-one (PubChem CID 56783410) has the molecular formula C9H9IN2O2S and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-(5-iodothiophene-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-iodothiophene-3-carbonyl)piperazin-2-one
PubChem CID56783410
Molecular FormulaC9H9IN2O2S
Molecular Weight336.15 g/mol
Exact Mass335.94
IUPAC Name4-(5-iodothiophene-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2csc(I)c2)CCN1
InChIInChI=1S/C9H9IN2O2S/c10-7-3-6(5-15-7)9(14)12-2-1-11-8(13)4-12/h3,5H,1-2,4H2,(H,11,13)
InChIKeyHTVFNUPZDCEDOX-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one
CID 107021528
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
(3,3-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 79506771
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
3-(3-oxopiperazine-1-carbonyl)benzaldehyde
CID 90105088
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodothiophene-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(5-iodothiophene-3-carbonyl)piperazin-2-one (CID 56783410) is 4-(5-iodothiophene-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(5-iodothiophene-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(5-iodothiophene-3-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2csc(I)c2)CCN1.
What is the InChIKey of 4-(5-iodothiophene-3-carbonyl)piperazin-2-one?
The InChIKey is HTVFNUPZDCEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O2S/c10-7-3-6(5-15-7)9(14)12-2-1-11-8(13)4-12/h3,5H,1-2,4H2,(H,11,13).
What are the key properties of 4-(5-iodothiophene-3-carbonyl)piperazin-2-one?
4-(5-iodothiophene-3-carbonyl)piperazin-2-one has a molecular weight of 336.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodothiophene-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 56783410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).