2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone

C22H24FN5O — CID 71791886

IUPAC2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccccc1-n1nncc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN5O/c1-17-5-2-3-8-21(17)28-20(15-24-25-28)16-26-9-11-27(12-10-26)22(29)14-18-6-4-7-19(23)13-18/h2-8,13,15H,9-12,14,16H2,1H3
InChIKeyCIKRGQXGSHHKTN-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 71791886) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID71791886
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccccc1-n1nncc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN5O/c1-17-5-2-3-8-21(17)28-20(15-24-25-28)16-26-9-11-27(12-10-26)22(29)14-18-6-4-7-19(23)13-18/h2-8,13,15H,9-12,14,16H2,1H3
InChIKeyCIKRGQXGSHHKTN-UHFFFAOYSA-N
XLogP2.60
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]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-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 71791886) is 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone is Cc1ccccc1-n1nncc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is CIKRGQXGSHHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-17-5-2-3-8-21(17)28-20(15-24-25-28)16-26-9-11-27(12-10-26)22(29)14-18-6-4-7-19(23)13-18/h2-8,13,15H,9-12,14,16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 393.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[[3-(2-methylphenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71791886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).