2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C16H20N4O — CID 110854224

IUPAC2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ccnc3)CC2)c1
InChIInChI=1S/C16H20N4O/c1-14-3-2-4-15(11-14)19-7-9-20(10-8-19)16(21)12-18-6-5-17-13-18/h2-6,11,13H,7-10,12H2,1H3
InChIKeyICDKIWUMEIMQEV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.54
Rot. Bonds3

About 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 110854224) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID110854224
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)Cn3ccnc3)CC2)c1
InChIInChI=1S/C16H20N4O/c1-14-3-2-4-15(11-14)19-7-9-20(10-8-19)16(21)12-18-6-5-17-13-18/h2-6,11,13H,7-10,12H2,1H3
InChIKeyICDKIWUMEIMQEV-UHFFFAOYSA-N
XLogP1.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-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

(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 94068052
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201855
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 110854224) is 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)Cn3ccnc3)CC2)c1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is ICDKIWUMEIMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-14-3-2-4-15(11-14)19-7-9-20(10-8-19)16(21)12-18-6-5-17-13-18/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110854224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).