2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide

C12H20N4O2 — CID 59869122

IUPAC2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCCN1CCC(C)(c2noc(CC(N)=O)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17/h3-8H2,1-2H3,(H2,13,17)
InChIKeyUZDUEPVYHCTHHV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds4

About 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide

2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 59869122) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID59869122
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCCN1CCC(C)(c2noc(CC(N)=O)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17/h3-8H2,1-2H3,(H2,13,17)
InChIKeyUZDUEPVYHCTHHV-UHFFFAOYSA-N
XLogP0.47
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(dimethylaminomethanone);ethyl 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetate;2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide;bis(tungsten(2+))
CID 157352164
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
2-[3-(3-methyloxolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115027752
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483179
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
CID 120855032
4-amino-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83266589
1-propyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077748
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 118264609
1-[3-(2-methylthiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 130642311
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide (CID 59869122) is 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide is CCN1CCC(C)(c2noc(CC(N)=O)n2)CC1.
What is the InChIKey of 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is UZDUEPVYHCTHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-16-6-4-12(2,5-7-16)11-14-10(18-15-11)8-9(13)17/h3-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide?
2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 59869122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).