3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole

C15H19N3O3 — CID 43625533

IUPAC3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCNC3)n2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-6-5-10(8-13(12)20-2)14-17-15(21-18-14)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyVMIWSNIMVPSLMI-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.22
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 43625533) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID43625533
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CCCNC3)n2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-6-5-10(8-13(12)20-2)14-17-15(21-18-14)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyVMIWSNIMVPSLMI-UHFFFAOYSA-N
XLogP2.22
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-(2,5-dimethoxyphenyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 95733041
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 43625533) is 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CCCNC3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is VMIWSNIMVPSLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-12-6-5-10(8-13(12)20-2)14-17-15(21-18-14)11-4-3-7-16-9-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43625533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).