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

C16H23N5O2 — CID 91834957

IUPAC2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC(Cc2noc(C)n2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-15-17-6-9-21(15)11-16(22)20-7-4-13(5-8-20)10-14-18-12(2)23-19-14/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyNXMWYMUYQMQKPA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.62
Rot. Bonds5

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

2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 91834957) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID91834957
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC(Cc2noc(C)n2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-15-17-6-9-21(15)11-16(22)20-7-4-13(5-8-20)10-14-18-12(2)23-19-14/h6,9,13H,3-5,7-8,10-11H2,1-2H3
InChIKeyNXMWYMUYQMQKPA-UHFFFAOYSA-N
XLogP1.62
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[2-(2-ethylimidazol-1-yl)ethyl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56701285
2-(2-ethylimidazol-1-yl)-1-[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]ethanone
CID 124977233
3-[[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085245
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 91797759
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 92589518
(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95198121
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone (CID 91834957) is 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone is CCc1nccn1CC(=O)N1CCC(Cc2noc(C)n2)CC1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is NXMWYMUYQMQKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-15-17-6-9-21(15)11-16(22)20-7-4-13(5-8-20)10-14-18-12(2)23-19-14/h6,9,13H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91834957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).