[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C17H22FN5O2 — CID 86928669

IUPAC[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C17H22FN5O2/c1-13-16(19-20-23(13)15-5-3-14(18)4-6-15)17(24)22-9-7-21(8-10-22)11-12-25-2/h3-6H,7-12H2,1-2H3
InChIKeyDEBFIDHHDQHZJY-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.12
Rot. Bonds5

About [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 86928669) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID86928669
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C17H22FN5O2/c1-13-16(19-20-23(13)15-5-3-14(18)4-6-15)17(24)22-9-7-21(8-10-22)11-12-25-2/h3-6H,7-12H2,1-2H3
InChIKeyDEBFIDHHDQHZJY-UHFFFAOYSA-N
XLogP1.12
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-fluorophenyl)-5-[4-(2-methoxyethyl)piperazin-1-yl]triazol-4-yl]ethanone
CID 46960280
[1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46857896
[1-(4-fluorophenyl)-5-(trifluoromethyl)triazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572095
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone
CID 86965812
(3R)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125149150
4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509942
[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methanone
CID 110164505
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
CID 55902501
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 112820953
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551362
(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 167914169
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8899117

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 86928669) is [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is DEBFIDHHDQHZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-13-16(19-20-23(13)15-5-3-14(18)4-6-15)17(24)22-9-7-21(8-10-22)11-12-25-2/h3-6H,7-12H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 347.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86928669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).