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

C15H19N3O3 — CID 60916810

IUPAC5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCCCN3)no2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-7-6-10(9-13(12)20-2)15-17-14(18-21-15)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeyVYWUSMOTJDOUHL-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.57
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916810) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916810
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCCCN3)no2)cc1OC
InChIInChI=1S/C15H19N3O3/c1-19-12-7-6-10(9-13(12)20-2)15-17-14(18-21-15)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3
InChIKeyVYWUSMOTJDOUHL-UHFFFAOYSA-N
XLogP2.57
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569152
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 97345748
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 55023638
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-pyrrolidin-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 116629199
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916810) is 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is COc1ccc(-c2nc(C3CCCCN3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is VYWUSMOTJDOUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-12-7-6-10(9-13(12)20-2)15-17-14(18-21-15)11-5-3-4-8-16-11/h6-7,9,11,16H,3-5,8H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 289.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).