3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C8H13N3O — CID 63221782

IUPAC3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1nc(CC2CCCNC2)no1
InChIInChI=1S/C8H13N3O/c1-2-7(5-9-3-1)4-8-10-6-12-11-8/h6-7,9H,1-5H2
InChIKeyRZKXKXCPNUJVPC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

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

3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63221782) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID63221782
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1nc(CC2CCCNC2)no1
InChIInChI=1S/C8H13N3O/c1-2-7(5-9-3-1)4-8-10-6-12-11-8/h6-7,9H,1-5H2
InChIKeyRZKXKXCPNUJVPC-UHFFFAOYSA-N
XLogP0.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-piperidin-3-ylacetamide
CID 106397177
(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide
CID 106396842
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 75531100
4,5,6-trimethyl-2-(piperidin-3-ylmethyl)pyrimidine
CID 105474903
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 63221782) is 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is c1nc(CC2CCCNC2)no1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is RZKXKXCPNUJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-7(5-9-3-1)4-8-10-6-12-11-8/h6-7,9H,1-5H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63221782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).