3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one

C17H21N3O3 — CID 2020010

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-22-14-7-5-13(6-8-14)17-18-15(23-19-17)9-10-16(21)20-11-3-2-4-12-20/h5-8H,2-4,9-12H2,1H3
InChIKeyODSYZVWQYJLMAW-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.69
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 2020010) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID2020010
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H21N3O3/c1-22-14-7-5-13(6-8-14)17-18-15(23-19-17)9-10-16(21)20-11-3-2-4-12-20/h5-8H,2-4,9-12H2,1H3
InChIKeyODSYZVWQYJLMAW-UHFFFAOYSA-N
XLogP2.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one (CID 2020010) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one is COc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is ODSYZVWQYJLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-7-5-13(6-8-14)17-18-15(23-19-17)9-10-16(21)20-11-3-2-4-12-20/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 315.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2020010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).