3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride

C12H16Cl2N4O — CID 68962118

IUPAC3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(C3CCCNC3)no2)nc1
InChIInChI=1S/C12H14N4O.2ClH/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h1-2,5,7,9,13H,3-4,6,8H2;2*1H
InChIKeyDWZAHUICDSIEAC-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.44
Rot. Bonds2

About 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride

3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 68962118) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID68962118
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(C3CCCNC3)no2)nc1
InChIInChI=1S/C12H14N4O.2ClH/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h1-2,5,7,9,13H,3-4,6,8H2;2*1H
InChIKeyDWZAHUICDSIEAC-UHFFFAOYSA-N
XLogP2.44
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride (CID 68962118) is 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride is Cl.Cl.c1ccc(-c2nc(C3CCCNC3)no2)nc1.
What is the InChIKey of 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is DWZAHUICDSIEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.2ClH/c1-2-7-14-10(5-1)12-15-11(16-17-12)9-4-3-6-13-8-9;;/h1-2,5,7,9,13H,3-4,6,8H2;2*1H.
What are the key properties of 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 303.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 68962118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).