3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride

C13H22ClN3O2 — CID 126802196

IUPAC3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESC1CC(Cc2nc(C3CCOCC3)no2)CCN1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-5-14-6-2-10(1)9-12-15-13(16-18-12)11-3-7-17-8-4-11;/h10-11,14H,1-9H2;1H
InChIKeyZCODTSLISZWMNQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.93
Rot. Bonds3

About 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride

3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 126802196) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID126802196
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
SMILESC1CC(Cc2nc(C3CCOCC3)no2)CCN1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-5-14-6-2-10(1)9-12-15-13(16-18-12)11-3-7-17-8-4-11;/h10-11,14H,1-9H2;1H
InChIKeyZCODTSLISZWMNQ-UHFFFAOYSA-N
XLogP1.93
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
2-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435007
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
5-(azepan-4-ylmethyl)-3-(oxolan-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893836
3-piperidin-4-yl-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078537
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride (CID 126802196) is 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride is C1CC(Cc2nc(C3CCOCC3)no2)CCN1.Cl.
What is the InChIKey of 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ZCODTSLISZWMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-5-14-6-2-10(1)9-12-15-13(16-18-12)11-3-7-17-8-4-11;/h10-11,14H,1-9H2;1H.
What are the key properties of 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride?
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 126802196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).