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

C18H23N3O3 — CID 3226016

IUPAC1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C18H23N3O3/c1-3-6-16(22)21-10-5-8-14(12-21)18-19-17(20-24-18)13-7-4-9-15(11-13)23-2/h4,7,9,11,14H,3,5-6,8,10,12H2,1-2H3
InChIKeyAZXOIXAUZOELAK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.25
Rot. Bonds5

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

1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 3226016) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID3226016
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C18H23N3O3/c1-3-6-16(22)21-10-5-8-14(12-21)18-19-17(20-24-18)13-7-4-9-15(11-13)23-2/h4,7,9,11,14H,3,5-6,8,10,12H2,1-2H3
InChIKeyAZXOIXAUZOELAK-UHFFFAOYSA-N
XLogP3.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (CID 3226016) is 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1.
What is the InChIKey of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is AZXOIXAUZOELAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-6-16(22)21-10-5-8-14(12-21)18-19-17(20-24-18)13-7-4-9-15(11-13)23-2/h4,7,9,11,14H,3,5-6,8,10,12H2,1-2H3.
What are the key properties of 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 3226016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).