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

C12H20N4O2 — CID 51081956

IUPAC2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCCc1noc(CN2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-2-11-14-12(18-15-11)8-16-5-3-9(4-6-16)7-10(13)17/h9H,2-8H2,1H3,(H2,13,17)
InChIKeyQPZJAPCDOLISRZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.72
Rot. Bonds5

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

2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 51081956) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide
PubChem CID51081956
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCCc1noc(CN2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C12H20N4O2/c1-2-11-14-12(18-15-11)8-16-5-3-9(4-6-16)7-10(13)17/h9H,2-8H2,1H3,(H2,13,17)
InChIKeyQPZJAPCDOLISRZ-UHFFFAOYSA-N
XLogP0.72
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide (CID 51081956) is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide is CCc1noc(CN2CCC(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is QPZJAPCDOLISRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-11-14-12(18-15-11)8-16-5-3-9(4-6-16)7-10(13)17/h9H,2-8H2,1H3,(H2,13,17).
What are the key properties of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 51081956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).