1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

C18H23N3O3 — CID 91907843

IUPAC1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOCc1nc(C2CCCN(C(=O)Cc3ccccc3C)C2)no1
InChIInChI=1S/C18H23N3O3/c1-13-6-3-4-7-14(13)10-17(22)21-9-5-8-15(11-21)18-19-16(12-23-2)24-20-18/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyFOTKTLYYDAGJJJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds5

About 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 91907843) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID91907843
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOCc1nc(C2CCCN(C(=O)Cc3ccccc3C)C2)no1
InChIInChI=1S/C18H23N3O3/c1-13-6-3-4-7-14(13)10-17(22)21-9-5-8-15(11-21)18-19-16(12-23-2)24-20-18/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyFOTKTLYYDAGJJJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 91907843) is 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is COCc1nc(C2CCCN(C(=O)Cc3ccccc3C)C2)no1.
What is the InChIKey of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is FOTKTLYYDAGJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-3-4-7-14(13)10-17(22)21-9-5-8-15(11-21)18-19-16(12-23-2)24-20-18/h3-4,6-7,15H,5,8-12H2,1-2H3.
What are the key properties of 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 91907843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).