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

C15H19N3O — CID 62688942

IUPAC3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CC3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-5-12(6-3-1)9-14-17-15(19-18-14)10-13-7-4-8-16-11-13/h1-3,5-6,13,16H,4,7-11H2
InChIKeyJRHCFNQNASGVEY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.20
Rot. Bonds4

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

3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62688942) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID62688942
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CC3CCCNC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-2-5-12(6-3-1)9-14-17-15(19-18-14)10-13-7-4-8-16-11-13/h1-3,5-6,13,16H,4,7-11H2
InChIKeyJRHCFNQNASGVEY-UHFFFAOYSA-N
XLogP2.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120841337
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
5-(azepan-4-ylmethyl)-3-(2-phenylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120834202
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
4-[[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 64611456
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047
5-[(3,4-dimethylphenyl)methyl]-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222044
3-[(3-methylphenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66111966
3-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120840020
3-[(4-chlorophenyl)methyl]-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948432

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 62688942) is 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is c1ccc(Cc2noc(CC3CCCNC3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JRHCFNQNASGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-5-12(6-3-1)9-14-17-15(19-18-14)10-13-7-4-8-16-11-13/h1-3,5-6,13,16H,4,7-11H2.
What are the key properties of 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62688942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).