2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

C19H22N6O3 — CID 91891758

IUPAC2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(C)no3)nn2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-20-19(28-22-13)16-12-25(23-21-16)15-7-9-24(10-8-15)18(26)11-14-5-3-4-6-17(14)27-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyXYGIDFNDKVURGB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 91891758) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID91891758
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(C)no3)nn2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-20-19(28-22-13)16-12-25(23-21-16)15-7-9-24(10-8-15)18(26)11-14-5-3-4-6-17(14)27-2/h3-6,12,15H,7-11H2,1-2H3
InChIKeyXYGIDFNDKVURGB-UHFFFAOYSA-N
XLogP2.05
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91891759
[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91891765
(3-fluorophenyl)-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891786
2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
CID 86263615
1-[4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 91891820
2-(3-methylphenyl)-1-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891951
2-(3-methylphenyl)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891904
2-(4-ethoxyphenyl)-1-[(3R)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]ethanone
CID 99757499
(2,5-difluorophenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757455
(2,4-dimethylphenyl)-[(3R)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757441
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-[3-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 91892133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone (CID 91891758) is 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(C)no3)nn2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XYGIDFNDKVURGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-20-19(28-22-13)16-12-25(23-21-16)15-7-9-24(10-8-15)18(26)11-14-5-3-4-6-17(14)27-2/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 382.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91891758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).