5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole

C12H21N3O — CID 60916536

IUPAC5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)12-14-11(15-16-12)10-7-5-6-8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyLJJQOSJXERPHSH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.79
Rot. Bonds4

About 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole

5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916536) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916536
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H21N3O/c1-3-9(4-2)12-14-11(15-16-12)10-7-5-6-8-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyLJJQOSJXERPHSH-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
3-(azepan-2-yl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 104541145
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
3-[(2S)-azepan-2-yl]-5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazole
CID 97345764

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916536) is 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole is CCC(CC)c1nc(C2CCCCN2)no1.
What is the InChIKey of 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is LJJQOSJXERPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-9(4-2)12-14-11(15-16-12)10-7-5-6-8-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole?
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).