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

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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).