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

C18H23N3O3 — CID 136561532

IUPAC2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1C)C(=O)N1CCCC(c2ncon2)C1
InChIInChI=1S/C18H23N3O3/c1-3-15(24-16-9-5-4-7-13(16)2)18(22)21-10-6-8-14(11-21)17-19-12-23-20-17/h4-5,7,9,12,14-15H,3,6,8,10-11H2,1-2H3
InChIKeyWLKWMUUVVHTXBR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds5

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

2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 136561532) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
PubChem CID136561532
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(Oc1ccccc1C)C(=O)N1CCCC(c2ncon2)C1
InChIInChI=1S/C18H23N3O3/c1-3-15(24-16-9-5-4-7-13(16)2)18(22)21-10-6-8-14(11-21)17-19-12-23-20-17/h4-5,7,9,12,14-15H,3,6,8,10-11H2,1-2H3
InChIKeyWLKWMUUVVHTXBR-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one (CID 136561532) is 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one is CCC(Oc1ccccc1C)C(=O)N1CCCC(c2ncon2)C1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is WLKWMUUVVHTXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-15(24-16-9-5-4-7-13(16)2)18(22)21-10-6-8-14(11-21)17-19-12-23-20-17/h4-5,7,9,12,14-15H,3,6,8,10-11H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 136561532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).