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

C13H16N4O — CID 63027158

IUPAC3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2nc(C3CCCNC3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-2-11(9-15-5-1)13-16-12(18-17-13)8-10-3-6-14-7-4-10/h3-4,6-7,11,15H,1-2,5,8-9H2
InChIKeyRWHWDWOOSPOMGN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.52
Rot. Bonds3

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

3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63027158) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID63027158
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(Cc2nc(C3CCCNC3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-2-11(9-15-5-1)13-16-12(18-17-13)8-10-3-6-14-7-4-10/h3-4,6-7,11,15H,1-2,5,8-9H2
InChIKeyRWHWDWOOSPOMGN-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025608
5-(1H-indazol-6-ylmethyl)-3-piperidin-3-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 166237342
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole (CID 63027158) is 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is c1cc(Cc2nc(C3CCCNC3)no2)ccn1.
What is the InChIKey of 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is RWHWDWOOSPOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(9-15-5-1)13-16-12(18-17-13)8-10-3-6-14-7-4-10/h3-4,6-7,11,15H,1-2,5,8-9H2.
What are the key properties of 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole?
3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).