3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole

C13H16N4O — CID 63221731

IUPAC3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CC3CCCNC3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11/h3-4,6-7,10,15H,1-2,5,8-9H2
InChIKeyBKYWEOPVBRAVHF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.67
Rot. Bonds3

About 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole

3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 63221731) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID63221731
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CC3CCCNC3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11/h3-4,6-7,10,15H,1-2,5,8-9H2
InChIKeyBKYWEOPVBRAVHF-UHFFFAOYSA-N
XLogP1.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
5-(3-methoxyphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221826
5-(2,5-dibromothiophen-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107965303
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
5-(4-bromo-2-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221693
3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 172909011
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496
5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222141
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 63221731) is 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole is c1cc(-c2nc(CC3CCCNC3)no2)ccn1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is BKYWEOPVBRAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11/h3-4,6-7,10,15H,1-2,5,8-9H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).