5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one

C9H15N3O2 — CID 115077951

IUPAC5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
SMILESCCN1CCCCC1c1nc(=O)[nH]o1
InChIInChI=1S/C9H15N3O2/c1-2-12-6-4-3-5-7(12)8-10-9(13)11-14-8/h7H,2-6H2,1H3,(H,11,13)
InChIKeyATRPLBPOTYWNJS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.91
Rot. Bonds2

About 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one

5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one (PubChem CID 115077951) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one.

Molecular Properties

Compound Name5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
PubChem CID115077951
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one
SMILESCCN1CCCCC1c1nc(=O)[nH]o1
InChIInChI=1S/C9H15N3O2/c1-2-12-6-4-3-5-7(12)8-10-9(13)11-14-8/h7H,2-6H2,1H3,(H,11,13)
InChIKeyATRPLBPOTYWNJS-UHFFFAOYSA-N
XLogP0.91
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-1-decan-5-ylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-one
CID 174164432
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
5-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115077815
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
5-amino-3-(1-ethylpiperidin-2-yl)-1H-pyridazin-6-one
CID 117105901
3-[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082861
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289
2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157202

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one?
The IUPAC name of 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one (CID 115077951) is 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one.
What is the SMILES notation for 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one?
The canonical SMILES for 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one is CCN1CCCCC1c1nc(=O)[nH]o1.
What is the InChIKey of 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one?
The InChIKey is ATRPLBPOTYWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-12-6-4-3-5-7(12)8-10-9(13)11-14-8/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one?
5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one has a molecular weight of 197.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-one is sourced from PubChem (CID 115077951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).