1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone

C17H22FN5O2 — CID 46960280

IUPAC1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone
SMILESCOCCN1CCN(c2c(C(C)=O)nnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN5O2/c1-13(24)16-17(22-9-7-21(8-10-22)11-12-25-2)23(20-19-16)15-5-3-14(18)4-6-15/h3-6H,7-12H2,1-2H3
InChIKeyKMEISIXCDGZEJM-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.38
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone

1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone (PubChem CID 46960280) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone
PubChem CID46960280
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone
SMILESCOCCN1CCN(c2c(C(C)=O)nnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C17H22FN5O2/c1-13(24)16-17(22-9-7-21(8-10-22)11-12-25-2)23(20-19-16)15-5-3-14(18)4-6-15/h3-6H,7-12H2,1-2H3
InChIKeyKMEISIXCDGZEJM-UHFFFAOYSA-N
XLogP1.38
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86928669
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
CID 110313451
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]triazole-4-carboxylate
CID 10273380
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55657669
2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 142706032
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone (CID 46960280) is 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone is COCCN1CCN(c2c(C(C)=O)nnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone?
The InChIKey is KMEISIXCDGZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-13(24)16-17(22-9-7-21(8-10-22)11-12-25-2)23(20-19-16)15-5-3-14(18)4-6-15/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone?
1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone has a molecular weight of 347.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone is sourced from PubChem (CID 46960280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).