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

C13H18Cl2N4O — CID 146064536

IUPAC3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(CC3CCCNC3)no2)nc1
InChIInChI=1S/C13H16N4O.2ClH/c1-2-7-15-11(5-1)13-16-12(17-18-13)8-10-4-3-6-14-9-10;;/h1-2,5,7,10,14H,3-4,6,8-9H2;2*1H
InChIKeyXLJVWYOFKMGZDC-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.52
Rot. Bonds3

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

3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 146064536) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID146064536
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nc(CC3CCCNC3)no2)nc1
InChIInChI=1S/C13H16N4O.2ClH/c1-2-7-15-11(5-1)13-16-12(17-18-13)8-10-4-3-6-14-9-10;;/h1-2,5,7,10,14H,3-4,6,8-9H2;2*1H
InChIKeyXLJVWYOFKMGZDC-UHFFFAOYSA-N
XLogP2.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
2-(piperidin-3-ylmethyl)-4-pyridin-2-ylpyrimidine
CID 116898975
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
5-(2-chloro-6-fluorophenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222141
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680
5-pyridin-2-yl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727844
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553
5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 171321103

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride (CID 146064536) is 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride is Cl.Cl.c1ccc(-c2nc(CC3CCCNC3)no2)nc1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is XLJVWYOFKMGZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.2ClH/c1-2-7-15-11(5-1)13-16-12(17-18-13)8-10-4-3-6-14-9-10;;/h1-2,5,7,10,14H,3-4,6,8-9H2;2*1H.
What are the key properties of 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride?
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 317.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 146064536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).