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

C13H21N3O4 — CID 95110664

IUPAC2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC[C@@H]1c1nc(COC)no1
InChIInChI=1S/C13H21N3O4/c1-3-19-9-12(17)16-7-5-4-6-10(16)13-14-11(8-18-2)15-20-13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyCIDBTWMHKYFPAH-SNVBAGLBSA-N
MW283.33 g/mol
LogP1.31
Rot. Bonds6

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

2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 95110664) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID95110664
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC[C@@H]1c1nc(COC)no1
InChIInChI=1S/C13H21N3O4/c1-3-19-9-12(17)16-7-5-4-6-10(16)13-14-11(8-18-2)15-20-13/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyCIDBTWMHKYFPAH-SNVBAGLBSA-N
XLogP1.31
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675
2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 53192022
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylmethoxyethanone
CID 42760371
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53191931
1-[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110656
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 95110664) is 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCCC[C@@H]1c1nc(COC)no1.
What is the InChIKey of 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is CIDBTWMHKYFPAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-19-9-12(17)16-7-5-4-6-10(16)13-14-11(8-18-2)15-20-13/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 283.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95110664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).