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

C12H19N3O — CID 63024752

IUPAC5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESC1CNCC(c2noc(C3CCCC3)n2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10/h9-10,13H,1-8H2
InChIKeyWWXPUCCMZOQAJU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds2

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

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63024752) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63024752
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESC1CNCC(c2noc(C3CCCC3)n2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10/h9-10,13H,1-8H2
InChIKeyWWXPUCCMZOQAJU-UHFFFAOYSA-N
XLogP2.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
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
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63024752) is 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole is C1CNCC(c2noc(C3CCCC3)n2)C1.
What is the InChIKey of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is WWXPUCCMZOQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10/h9-10,13H,1-8H2.
What are the key properties of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole?
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63024752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).