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

C12H20ClN3O — CID 68965695

IUPAC5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESC1CNCC(c2noc(C3CCCC3)n2)C1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10;/h9-10,13H,1-8H2;1H
InChIKeyUHLANXNWBFKAJW-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.62
Rot. Bonds2

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

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 68965695) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID68965695
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESC1CNCC(c2noc(C3CCCC3)n2)C1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10;/h9-10,13H,1-8H2;1H
InChIKeyUHLANXNWBFKAJW-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
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;hydrochloride?
The IUPAC name of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 68965695) is 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride is C1CNCC(c2noc(C3CCCC3)n2)C1.Cl.
What is the InChIKey of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is UHLANXNWBFKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-2-5-9(4-1)12-14-11(15-16-12)10-6-3-7-13-8-10;/h9-10,13H,1-8H2;1H.
What are the key properties of 5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.62, 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;hydrochloride is sourced from PubChem (CID 68965695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).