1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone

C17H23N3O3S — CID 124753151

IUPAC1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCOCCc1noc([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)n1
InChIInChI=1S/C17H23N3O3S/c1-12(21)15-8-13(11-24-15)9-20-6-3-4-14(10-20)17-18-16(19-23-17)5-7-22-2/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyLJOYAZGBQBYOTI-CQSZACIVSA-N
MW349.46 g/mol
LogP2.90
Rot. Bonds7

About 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone

1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 124753151) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
PubChem CID124753151
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCOCCc1noc([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)n1
InChIInChI=1S/C17H23N3O3S/c1-12(21)15-8-13(11-24-15)9-20-6-3-4-14(10-20)17-18-16(19-23-17)5-7-22-2/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyLJOYAZGBQBYOTI-CQSZACIVSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95727245
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753139
5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 77080892
3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95708917
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327
5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 97435860
2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91840830
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
(1R,5S)-3-[(5-acetylthiophen-3-yl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133123485
3-(2-methoxyethyl)-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 87053264
methyl 4-[[(3R)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 136706483

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone (CID 124753151) is 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone is COCCc1noc([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)n1.
What is the InChIKey of 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
The InChIKey is LJOYAZGBQBYOTI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(21)15-8-13(11-24-15)9-20-6-3-4-14(10-20)17-18-16(19-23-17)5-7-22-2/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone?
1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 349.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 124753151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).