2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole

C14H17N3O — CID 24950366

IUPAC2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(CN2CCC(c3nnco3)CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-17-8-6-13(7-9-17)14-16-15-11-18-14/h1-5,11,13H,6-10H2
InChIKeyKKAKXQFKDCFWBM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole

2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 24950366) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID24950366
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(CN2CCC(c3nnco3)CC2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-17-8-6-13(7-9-17)14-16-15-11-18-14/h1-5,11,13H,6-10H2
InChIKeyKKAKXQFKDCFWBM-UHFFFAOYSA-N
XLogP2.45
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole (CID 24950366) is 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole is c1ccc(CN2CCC(c3nnco3)CC2)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is KKAKXQFKDCFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-17-8-6-13(7-9-17)14-16-15-11-18-14/h1-5,11,13H,6-10H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole?
2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 24950366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).