2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C17H21FN4O2 — CID 171133252

IUPAC2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C17H21FN4O2/c1-13-6-8-21(9-7-13)17(23)11-22-10-15(19-20-22)12-24-16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyQUSRQGOVKFSWDN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 171133252) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID171133252
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C17H21FN4O2/c1-13-6-8-21(9-7-13)17(23)11-22-10-15(19-20-22)12-24-16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyQUSRQGOVKFSWDN-UHFFFAOYSA-N
XLogP2.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-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

1-Dodecyl-4-(phenoxymethyl)triazole
CID 60144741
2-(2-fluorophenyl)-1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]-1-azetanyl}-1-ethanone
CID 87052277
1-[3-[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 87052283
N-[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]ethyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 168284622
4-[(2-Fluorophenoxy)methyl]-1-octyltriazole
CID 46218346
(3R,4S,6R)-N,N-dimethyl-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11941749
(3R,4S,6R)-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-N-propan-2-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11941887
(3R,4S,6R)-N-(2-acetamidoethyl)-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 11942491
morpholin-4-yl-[(3R,6R)-6-[[4-(phenoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-yl]methanone
CID 44715954
Ethyl 2-[4-(phenoxymethyl)triazol-1-yl]acetate
CID 102181650
1-(2-fluorobenzyl)-N-methyl-N-(2-phenoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 25277558
(2S)-1-[4-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-methyl-2-phenoxybutan-1-one
CID 31044739

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 171133252) is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2cc(COc3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is QUSRQGOVKFSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-13-6-8-21(9-7-13)17(23)11-22-10-15(19-20-22)12-24-16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 332.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 171133252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).