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

C12H16N6O2 — CID 58295851

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCc1noc(C2CCN(C(=O)Cn3ccnn3)CC2)n1
InChIInChI=1S/C12H16N6O2/c1-9-14-12(20-15-9)10-2-5-17(6-3-10)11(19)8-18-7-4-13-16-18/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyIKLWWYGZPLKYBA-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.38
Rot. Bonds3

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 58295851) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID58295851
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESCc1noc(C2CCN(C(=O)Cn3ccnn3)CC2)n1
InChIInChI=1S/C12H16N6O2/c1-9-14-12(20-15-9)10-2-5-17(6-3-10)11(19)8-18-7-4-13-16-18/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyIKLWWYGZPLKYBA-UHFFFAOYSA-N
XLogP0.38
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone (CID 58295851) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is Cc1noc(C2CCN(C(=O)Cn3ccnn3)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is IKLWWYGZPLKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-9-14-12(20-15-9)10-2-5-17(6-3-10)11(19)8-18-7-4-13-16-18/h4,7,10H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 276.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 58295851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).