1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one

C18H23N3O3 — CID 70706844

IUPAC1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCOCCc1noc(CN2CC(C)(c3ccccc3)CCC2=O)n1
InChIInChI=1S/C18H23N3O3/c1-18(14-6-4-3-5-7-14)10-8-17(22)21(13-18)12-16-19-15(20-24-16)9-11-23-2/h3-7H,8-13H2,1-2H3
InChIKeyILVIUYCMDWHDQX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.34
Rot. Bonds6

About 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one

1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one (PubChem CID 70706844) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
PubChem CID70706844
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCOCCc1noc(CN2CC(C)(c3ccccc3)CCC2=O)n1
InChIInChI=1S/C18H23N3O3/c1-18(14-6-4-3-5-7-14)10-8-17(22)21(13-18)12-16-19-15(20-24-16)9-11-23-2/h3-7H,8-13H2,1-2H3
InChIKeyILVIUYCMDWHDQX-UHFFFAOYSA-N
XLogP2.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one (CID 70706844) is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one is COCCc1noc(CN2CC(C)(c3ccccc3)CCC2=O)n1.
What is the InChIKey of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is ILVIUYCMDWHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(14-6-4-3-5-7-14)10-8-17(22)21(13-18)12-16-19-15(20-24-16)9-11-23-2/h3-7H,8-13H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 70706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).