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

C7H12ClN3O — CID 47002154

IUPAC3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCCN2)no1
InChIInChI=1S/C7H11N3O.ClH/c1-2-4-8-6(3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H
InChIKeyPKKXNVYIELGLRW-UHFFFAOYSA-N
MW189.65 g/mol
LogP1.31
Rot. Bonds1

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

3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 47002154) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID47002154
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCCN2)no1
InChIInChI=1S/C7H11N3O.ClH/c1-2-4-8-6(3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H
InChIKeyPKKXNVYIELGLRW-UHFFFAOYSA-N
XLogP1.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 47002154) is 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2CCCCN2)no1.
What is the InChIKey of 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is PKKXNVYIELGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-2-4-8-6(3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H.
What are the key properties of 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 47002154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).