1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

C10H15N3O2 — CID 166211162

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1ncon1
InChIInChI=1S/C10H15N3O2/c1-2-9(14)13-6-4-3-5-8(13)10-11-7-15-12-10/h7-8H,2-6H2,1H3
InChIKeyRTBAQUZWGCNYIC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.53
Rot. Bonds2

About 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 166211162) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID166211162
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1ncon1
InChIInChI=1S/C10H15N3O2/c1-2-9(14)13-6-4-3-5-8(13)10-11-7-15-12-10/h7-8H,2-6H2,1H3
InChIKeyRTBAQUZWGCNYIC-UHFFFAOYSA-N
XLogP1.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylcyclohexyl)-1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 127649525
3-cyclopropyl-3-methyl-1-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]butan-1-one
CID 129344872
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
CID 126770521
2-(2-methoxy-5-methylphenyl)-1-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136534988
[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 167948922
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064
[1-(2-methylpropyl)pyrazol-4-yl]-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806178
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 125142071
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828512
[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99828604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (CID 166211162) is 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1c1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RTBAQUZWGCNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-9(14)13-6-4-3-5-8(13)10-11-7-15-12-10/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 209.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 166211162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).