1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone

C11H17N3O2 — CID 115080085

IUPAC1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCN1CCCC(c2noc(C(C)=O)n2)C1
InChIInChI=1S/C11H17N3O2/c1-3-14-6-4-5-9(7-14)10-12-11(8(2)15)16-13-10/h9H,3-7H2,1-2H3
InChIKeyAWTCMLQDHHKSCD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.47
Rot. Bonds3

About 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone

1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 115080085) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID115080085
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCCN1CCCC(c2noc(C(C)=O)n2)C1
InChIInChI=1S/C11H17N3O2/c1-3-14-6-4-5-9(7-14)10-12-11(8(2)15)16-13-10/h9H,3-7H2,1-2H3
InChIKeyAWTCMLQDHHKSCD-UHFFFAOYSA-N
XLogP1.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081722
1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63345470
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119
2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080194
1-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 130621937
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
2-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129445
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
2-(1-ethylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155378
1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone (CID 115080085) is 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone is CCN1CCCC(c2noc(C(C)=O)n2)C1.
What is the InChIKey of 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is AWTCMLQDHHKSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14-6-4-5-9(7-14)10-12-11(8(2)15)16-13-10/h9H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 223.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 115080085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).