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

C12H20N4O — CID 115077690

IUPAC3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
SMILESC1CNCC(c2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h9-10,13-14H,1-8H2
InChIKeyIKHFPPDUOVCSHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.00
Rot. Bonds2

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

3,5-di(piperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 115077690) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
PubChem CID115077690
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
SMILESC1CNCC(c2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h9-10,13-14H,1-8H2
InChIKeyIKHFPPDUOVCSHL-UHFFFAOYSA-N
XLogP1.00
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691

Frequently Asked Questions

What is the IUPAC name of 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole (CID 115077690) is 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole is C1CNCC(c2noc(C3CCCNC3)n2)C1.
What is the InChIKey of 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is IKHFPPDUOVCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10/h9-10,13-14H,1-8H2.
What are the key properties of 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole?
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 236.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(piperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115077690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).