1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone

C12H20N4O2 — CID 91167706

IUPAC1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCCNc1nc(C2CCC(C)N(C(C)=O)C2)no1
InChIInChI=1S/C12H20N4O2/c1-4-13-12-14-11(15-18-12)10-6-5-8(2)16(7-10)9(3)17/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWXRKOXZIOKJKLI-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.62
Rot. Bonds3

About 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone

1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone (PubChem CID 91167706) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone
PubChem CID91167706
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCCNc1nc(C2CCC(C)N(C(C)=O)C2)no1
InChIInChI=1S/C12H20N4O2/c1-4-13-12-14-11(15-18-12)10-6-5-8(2)16(7-10)9(3)17/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyWXRKOXZIOKJKLI-UHFFFAOYSA-N
XLogP1.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone (CID 91167706) is 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone is CCNc1nc(C2CCC(C)N(C(C)=O)C2)no1.
What is the InChIKey of 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone?
The InChIKey is WXRKOXZIOKJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-13-12-14-11(15-18-12)10-6-5-8(2)16(7-10)9(3)17/h8,10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone?
1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone has a molecular weight of 252.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 91167706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).