5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole

C17H21N3O — CID 63247056

IUPAC5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCCC2c1noc(C2CCNCC2)n1
InChIInChI=1S/C17H21N3O/c1-2-6-14-12(4-1)5-3-7-15(14)16-19-17(21-20-16)13-8-10-18-11-9-13/h1-2,4,6,13,15,18H,3,5,7-11H2
InChIKeyNSLTVKBBHMFVRQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.00
Rot. Bonds2

About 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole

5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole (PubChem CID 63247056) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
PubChem CID63247056
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCCC2c1noc(C2CCNCC2)n1
InChIInChI=1S/C17H21N3O/c1-2-6-14-12(4-1)5-3-7-15(14)16-19-17(21-20-16)13-8-10-18-11-9-13/h1-2,4,6,13,15,18H,3,5,7-11H2
InChIKeyNSLTVKBBHMFVRQ-UHFFFAOYSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole (CID 63247056) is 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CCCC2c1noc(C2CCNCC2)n1.
What is the InChIKey of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
The InChIKey is NSLTVKBBHMFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-14-12(4-1)5-3-7-15(14)16-19-17(21-20-16)13-8-10-18-11-9-13/h1-2,4,6,13,15,18H,3,5,7-11H2.
What are the key properties of 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole?
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole has a molecular weight of 283.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).