2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C13H17IN2O2 — CID 61400060

IUPAC2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2I)CC1
InChIInChI=1S/C13H17IN2O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3
InChIKeyGMWOBJFXBRPKQO-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 61400060) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID61400060
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2I)CC1
InChIInChI=1S/C13H17IN2O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3
InChIKeyGMWOBJFXBRPKQO-UHFFFAOYSA-N
XLogP1.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-iodophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 38880193
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
CID 55916292
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-iodoanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28878586
2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568641
3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107673791

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 61400060) is 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COc2ccccc2I)CC1.
What is the InChIKey of 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GMWOBJFXBRPKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 360.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61400060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).