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

C11H19N3O — CID 62689973

IUPAC5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C11H19N3O/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h9,12H,2-8H2,1H3
InChIKeyLTHMAWGXWRRKLI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds4

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

5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 62689973) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
PubChem CID62689973
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C11H19N3O/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h9,12H,2-8H2,1H3
InChIKeyLTHMAWGXWRRKLI-UHFFFAOYSA-N
XLogP1.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760
3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62688942
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-[(3-methylphenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66111966

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole (CID 62689973) is 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(CC2CCCNC2)n1.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is LTHMAWGXWRRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h9,12H,2-8H2,1H3.
What are the key properties of 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole?
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 62689973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).