2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole

C14H17N3O — CID 15919001

IUPAC2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O/c1-3-7-12(8-4-1)11-13-15-16-14(18-13)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeySSCJWXGVLDGCHN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.65
Rot. Bonds3

About 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole

2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole (PubChem CID 15919001) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole
PubChem CID15919001
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(N3CCCCC3)o2)cc1
InChIInChI=1S/C14H17N3O/c1-3-7-12(8-4-1)11-13-15-16-14(18-13)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeySSCJWXGVLDGCHN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole (CID 15919001) is 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole is c1ccc(Cc2nnc(N3CCCCC3)o2)cc1.
What is the InChIKey of 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole?
The InChIKey is SSCJWXGVLDGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-7-12(8-4-1)11-13-15-16-14(18-13)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole?
2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-piperidin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 15919001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).