5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine

C9H16N4O — CID 65419210

IUPAC5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCC2CCCNC2)n1
InChIInChI=1S/C9H16N4O/c10-9-12-8(14-13-9)4-3-7-2-1-5-11-6-7/h7,11H,1-6H2,(H2,10,13)
InChIKeyWLXYUNPQLSPJSN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds3

About 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine

5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65419210) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
PubChem CID65419210
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCC2CCCNC2)n1
InChIInChI=1S/C9H16N4O/c10-9-12-8(14-13-9)4-3-7-2-1-5-11-6-7/h7,11H,1-6H2,(H2,10,13)
InChIKeyWLXYUNPQLSPJSN-UHFFFAOYSA-N
XLogP0.58
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 116807301
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 104797840
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496
5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
3-(2-methoxypropyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 113391100

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine (CID 65419210) is 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(CCC2CCCNC2)n1.
What is the InChIKey of 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is WLXYUNPQLSPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-9-12-8(14-13-9)4-3-7-2-1-5-11-6-7/h7,11H,1-6H2,(H2,10,13).
What are the key properties of 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine?
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65419210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).