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

C15H19N3O — CID 39755777

IUPAC3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-13(8-4-1)11-14-16-15(19-17-14)12-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyOCVAKOIAFYSAGT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds4

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

3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 39755777) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID39755777
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-7-13(8-4-1)11-14-16-15(19-17-14)12-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyOCVAKOIAFYSAGT-UHFFFAOYSA-N
XLogP2.65
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119906219
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 62021565
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
3-benzyl-5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42395337
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773741
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79874615
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773740
3-[(3-fluorophenyl)methyl]-5-[(4-phenylazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 45242569

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (CID 39755777) is 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is c1ccc(Cc2noc(CN3CCCCC3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is OCVAKOIAFYSAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-7-13(8-4-1)11-14-16-15(19-17-14)12-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 39755777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).