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

C19H25N3O4 — CID 53191948

IUPAC2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCCC2c2nc(COC)no2)cc1
InChIInChI=1S/C19H25N3O4/c1-3-25-15-9-7-14(8-10-15)12-18(23)22-11-5-4-6-16(22)19-20-17(13-24-2)21-26-19/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyFRANOLSKPAYWDM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.91
Rot. Bonds7

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

2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 53191948) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID53191948
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCCC2c2nc(COC)no2)cc1
InChIInChI=1S/C19H25N3O4/c1-3-25-15-9-7-14(8-10-15)12-18(23)22-11-5-4-6-16(22)19-20-17(13-24-2)21-26-19/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyFRANOLSKPAYWDM-UHFFFAOYSA-N
XLogP2.91
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 53191948) is 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCCCC2c2nc(COC)no2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is FRANOLSKPAYWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-25-15-9-7-14(8-10-15)12-18(23)22-11-5-4-6-16(22)19-20-17(13-24-2)21-26-19/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53191948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).