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

C13H22N4O — CID 116806582

IUPAC5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCCC1(c2nc(N3CCCC3)no2)CCCNC1
InChIInChI=1S/C13H22N4O/c1-2-13(6-5-7-14-10-13)11-15-12(16-18-11)17-8-3-4-9-17/h14H,2-10H2,1H3
InChIKeyUTMIIUPOYQXNDH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.70
Rot. Bonds3

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

5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 116806582) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID116806582
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCCC1(c2nc(N3CCCC3)no2)CCCNC1
InChIInChI=1S/C13H22N4O/c1-2-13(6-5-7-14-10-13)11-15-12(16-18-11)17-8-3-4-9-17/h14H,2-10H2,1H3
InChIKeyUTMIIUPOYQXNDH-UHFFFAOYSA-N
XLogP1.70
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
5-(3-ethylpiperidin-3-yl)-3-(3-methoxypentan-3-yl)-1,2,4-oxadiazole
CID 116741140
5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
CID 65331500
5-(3-ethylpiperidin-3-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 104788843
3-(3-bromo-4-chlorophenyl)-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 115565652
5-(3-ethylpiperidin-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 63138318
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 116806582) is 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is CCC1(c2nc(N3CCCC3)no2)CCCNC1.
What is the InChIKey of 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is UTMIIUPOYQXNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-13(6-5-7-14-10-13)11-15-12(16-18-11)17-8-3-4-9-17/h14H,2-10H2,1H3.
What are the key properties of 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116806582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).