N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H20N4O — CID 115081354

IUPACN-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCCN(C)C2)no1
InChIInChI=1S/C11H20N4O/c1-12-6-5-10-13-11(14-16-10)9-4-3-7-15(2)8-9/h9,12H,3-8H2,1-2H3
InChIKeyGSIIZRAYSJLRJU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081354) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081354
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(C2CCCN(C)C2)no1
InChIInChI=1S/C11H20N4O/c1-12-6-5-10-13-11(14-16-10)9-4-3-7-15(2)8-9/h9,12H,3-8H2,1-2H3
InChIKeyGSIIZRAYSJLRJU-UHFFFAOYSA-N
XLogP0.64
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
N-methyl-1-[3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115081078
2-[3-(1,1-dioxothiolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081368
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
CID 115079643
1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081354) is N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(C2CCCN(C)C2)no1.
What is the InChIKey of N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is GSIIZRAYSJLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-12-6-5-10-13-11(14-16-10)9-4-3-7-15(2)8-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).