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

C16H20N4O — CID 116807242

IUPAC3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCCC2c1nc(N2CCCCC2)no1
InChIInChI=1S/C16H20N4O/c1-4-10-20(11-5-1)16-18-15(21-19-16)13-8-9-17-14-7-3-2-6-12(13)14/h2-3,6-7,13,17H,1,4-5,8-11H2
InChIKeyISCJAQSBZRJEPX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds2

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

3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 116807242) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID116807242
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCCC2c1nc(N2CCCCC2)no1
InChIInChI=1S/C16H20N4O/c1-4-10-20(11-5-1)16-18-15(21-19-16)13-8-9-17-14-7-3-2-6-12(13)14/h2-3,6-7,13,17H,1,4-5,8-11H2
InChIKeyISCJAQSBZRJEPX-UHFFFAOYSA-N
XLogP3.01
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-1-yl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,2,4-oxadiazole
CID 116807015
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
4-(1,2,3,4-tetrahydroquinolin-4-yl)-1,3-oxazole
CID 55279661
3-cyclobutyl-5-(2,3-dihydro-1H-indol-3-yl)-1,2,4-oxadiazole
CID 80565046
4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106779086
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
4-[5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807439
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116807952
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116807932
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
CID 116808055
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole (CID 116807242) is 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole is c1ccc2c(c1)NCCC2c1nc(N2CCCCC2)no1.
What is the InChIKey of 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is ISCJAQSBZRJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-10-20(11-5-1)16-18-15(21-19-16)13-8-9-17-14-7-3-2-6-12(13)14/h2-3,6-7,13,17H,1,4-5,8-11H2.
What are the key properties of 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole?
3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).