2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

C16H19FN4O2 — CID 25284820

IUPAC2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1ccnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O2/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-23-14-4-2-13(17)3-5-14/h2-7H,8-12H2,1H3
InChIKeyWLCUEXDGHBSMIS-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.29
Rot. Bonds4

About 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 25284820) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID25284820
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1ccnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O2/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-23-14-4-2-13(17)3-5-14/h2-7H,8-12H2,1H3
InChIKeyWLCUEXDGHBSMIS-UHFFFAOYSA-N
XLogP1.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 25284820) is 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is Cn1ccnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is WLCUEXDGHBSMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-19-7-6-18-16(19)21-10-8-20(9-11-21)15(22)12-23-14-4-2-13(17)3-5-14/h2-7H,8-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 318.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25284820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).