3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid

C10H15N3O3 — CID 115081722

IUPAC3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCCN1CCCC(c2noc(C(=O)O)n2)C1
InChIInChI=1S/C10H15N3O3/c1-2-13-5-3-4-7(6-13)8-11-9(10(14)15)16-12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeySRXIUNJOWBMCNU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.97
Rot. Bonds3

About 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid

3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 115081722) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID115081722
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCCN1CCCC(c2noc(C(=O)O)n2)C1
InChIInChI=1S/C10H15N3O3/c1-2-13-5-3-4-7(6-13)8-11-9(10(14)15)16-12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeySRXIUNJOWBMCNU-UHFFFAOYSA-N
XLogP0.97
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115080085
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
2-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129445
2-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080194
2-(1-ethylpiperidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117155378
2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
3-(thiolan-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021927
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 115081722) is 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid is CCN1CCCC(c2noc(C(=O)O)n2)C1.
What is the InChIKey of 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is SRXIUNJOWBMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-13-5-3-4-7(6-13)8-11-9(10(14)15)16-12-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 115081722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).