2-(3-iodophenyl)-1-piperazin-1-ylethanone

C12H15IN2O — CID 119400955

IUPAC2-(3-iodophenyl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1cccc(I)c1)N1CCNCC1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-2-10(8-11)9-12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7,9H2
InChIKeyHWMAISKLNYIXAK-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-iodophenyl)-1-piperazin-1-ylethanone

2-(3-iodophenyl)-1-piperazin-1-ylethanone (PubChem CID 119400955) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(3-iodophenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-iodophenyl)-1-piperazin-1-ylethanone
PubChem CID119400955
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name2-(3-iodophenyl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1cccc(I)c1)N1CCNCC1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-2-10(8-11)9-12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7,9H2
InChIKeyHWMAISKLNYIXAK-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-iodophenyl)-1-piperazin-1-ylethanone 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-(3-iodophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400954
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3-iodophenyl)ethanone;hydrochloride
CID 120656765
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
CID 119410199
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
3-(3-bromophenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402089
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
CID 22104765

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-iodophenyl)-1-piperazin-1-ylethanone (CID 119400955) is 2-(3-iodophenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-iodophenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-iodophenyl)-1-piperazin-1-ylethanone is O=C(Cc1cccc(I)c1)N1CCNCC1.
What is the InChIKey of 2-(3-iodophenyl)-1-piperazin-1-ylethanone?
The InChIKey is HWMAISKLNYIXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-11-3-1-2-10(8-11)9-12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7,9H2.
What are the key properties of 2-(3-iodophenyl)-1-piperazin-1-ylethanone?
2-(3-iodophenyl)-1-piperazin-1-ylethanone has a molecular weight of 330.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 119400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).