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

C12H16Cl2N4O — CID 66618635

IUPAC5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2noc(C3CCCNC3)n2)ccn1
InChIInChI=1S/C12H14N4O.2ClH/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9;;/h3-4,6-7,10,14H,1-2,5,8H2;2*1H
InChIKeyNGZYSINODZGLNM-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.44
Rot. Bonds2

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

5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 66618635) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID66618635
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2noc(C3CCCNC3)n2)ccn1
InChIInChI=1S/C12H14N4O.2ClH/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9;;/h3-4,6-7,10,14H,1-2,5,8H2;2*1H
InChIKeyNGZYSINODZGLNM-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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Related Compounds

5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
5-[(3S)-piperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 52951031
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43625533
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
3-(5-chlorofuran-2-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080752

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride (CID 66618635) is 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride is Cl.Cl.c1cc(-c2noc(C3CCCNC3)n2)ccn1.
What is the InChIKey of 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is NGZYSINODZGLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.2ClH/c1-2-10(8-14-5-1)12-15-11(16-17-12)9-3-6-13-7-4-9;;/h3-4,6-7,10,14H,1-2,5,8H2;2*1H.
What are the key properties of 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
5-piperidin-3-yl-3-pyridin-4-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 5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 66618635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).