N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide

C14H18IN3O3 — CID 166366091

IUPACN-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCCOc1ccc(I)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-10-7-17-13(19)14(20)18-8-5-16-6-9-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyJAJLNWLCKSVNRV-UHFFFAOYSA-N
MW403.22 g/mol
LogP0.22
Rot. Bonds4

About N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide

N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 166366091) has the molecular formula C14H18IN3O3 and a molecular weight of 403.22 g/mol. Its IUPAC name is N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide
PubChem CID166366091
Molecular FormulaC14H18IN3O3
Molecular Weight403.22 g/mol
Exact Mass403.04
IUPAC NameN-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCCOc1ccc(I)cc1)C(=O)N1CCNCC1
InChIInChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-10-7-17-13(19)14(20)18-8-5-16-6-9-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyJAJLNWLCKSVNRV-UHFFFAOYSA-N
XLogP0.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521116
3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea
CID 100743856
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
2-(1,4-diazepan-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 43327503
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
N-(2-cyclohexyloxyethyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 63832479
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide (CID 166366091) is N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide is O=C(NCCOc1ccc(I)cc1)C(=O)N1CCNCC1.
What is the InChIKey of N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is JAJLNWLCKSVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-10-7-17-13(19)14(20)18-8-5-16-6-9-18/h1-4,16H,5-10H2,(H,17,19).
What are the key properties of N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide?
N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 403.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 166366091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).