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

C13H22N4O — CID 115078020

IUPAC5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCN1CCCCC1c1nc(C2CCNC2)no1
InChIInChI=1S/C13H22N4O/c1-2-17-8-4-3-5-11(17)13-15-12(16-18-13)10-6-7-14-9-10/h10-11,14H,2-9H2,1H3
InChIKeySBQSCXJEWWOMGA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds3

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

5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115078020) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115078020
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCCN1CCCCC1c1nc(C2CCNC2)no1
InChIInChI=1S/C13H22N4O/c1-2-17-8-4-3-5-11(17)13-15-12(16-18-13)10-6-7-14-9-10/h10-11,14H,2-9H2,1H3
InChIKeySBQSCXJEWWOMGA-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
5-(1-ethylpyrrolidin-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077870
3-bromo-5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 115077953
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-cyclopropyl-5-[(2S)-1-(2-methyl-2-piperidin-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 77091149
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 69492114
2-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115078058

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115078020) is 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is CCN1CCCCC1c1nc(C2CCNC2)no1.
What is the InChIKey of 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is SBQSCXJEWWOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-8-4-3-5-11(17)13-15-12(16-18-13)10-6-7-14-9-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115078020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).