5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H24N4O — CID 115080796

IUPAC5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCCC1c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)18-9-5-7-12(18)13-16-14(19-17-13)11-6-3-4-8-15-11/h10-12,15H,3-9H2,1-2H3
InChIKeyZKJPUGWIAYOWNQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.43
Rot. Bonds3

About 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole

5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 115080796) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID115080796
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCCC1c1noc(C2CCCCN2)n1
InChIInChI=1S/C14H24N4O/c1-10(2)18-9-5-7-12(18)13-16-14(19-17-13)11-6-3-4-8-15-11/h10-12,15H,3-9H2,1-2H3
InChIKeyZKJPUGWIAYOWNQ-UHFFFAOYSA-N
XLogP2.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
5-piperidin-2-yl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115080806
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104900713
4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104915033

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 115080796) is 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole is CC(C)N1CCCC1c1noc(C2CCCCN2)n1.
What is the InChIKey of 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZKJPUGWIAYOWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)18-9-5-7-12(18)13-16-14(19-17-13)11-6-3-4-8-15-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole?
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115080796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).