[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone

C17H22FN5O2 — CID 136548038

IUPAC[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)nn1
InChIInChI=1S/C17H22FN5O2/c1-13-11-21(15-5-3-4-14(18)10-15)6-7-23(13)17(24)16-12-22(20-19-16)8-9-25-2/h3-5,10,12-13H,6-9,11H2,1-2H3
InChIKeyNUQZUEBDTNKHAI-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.41
Rot. Bonds5

About [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone

[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone (PubChem CID 136548038) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone
PubChem CID136548038
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)nn1
InChIInChI=1S/C17H22FN5O2/c1-13-11-21(15-5-3-4-14(18)10-15)6-7-23(13)17(24)16-12-22(20-19-16)8-9-25-2/h3-5,10,12-13H,6-9,11H2,1-2H3
InChIKeyNUQZUEBDTNKHAI-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-fluorophenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1H-pyridazin-6-one
CID 138046695
[1-(2-methoxyethyl)triazol-4-yl]-[6-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 166254374
[(2R,3R)-2-(3-fluorophenyl)-3-methylmorpholin-4-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 136583079
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]triazol-4-yl]methanone;hydrochloride
CID 120572401
1-[2-[(2S,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129469988
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate
CID 142709645
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
CID 142709644
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734883
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 139002271

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone?
The IUPAC name of [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone (CID 136548038) is [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone?
The canonical SMILES for [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone is COCCn1cc(C(=O)N2CCN(c3cccc(F)c3)CC2C)nn1.
What is the InChIKey of [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone?
The InChIKey is NUQZUEBDTNKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-13-11-21(15-5-3-4-14(18)10-15)6-7-23(13)17(24)16-12-22(20-19-16)8-9-25-2/h3-5,10,12-13H,6-9,11H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone?
[4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone has a molecular weight of 347.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-[1-(2-methoxyethyl)triazol-4-yl]methanone is sourced from PubChem (CID 136548038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).