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

C11H20N4O — CID 115081192

IUPACN-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(12-2)11-14-10(15-16-11)6-9-4-3-5-13-7-9/h8-9,12-13H,3-7H2,1-2H3
InChIKeyZOBGGDKNJYMXQG-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.89
Rot. Bonds4

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

N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115081192) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115081192
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(C)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C11H20N4O/c1-8(12-2)11-14-10(15-16-11)6-9-4-3-5-13-7-9/h8-9,12-13H,3-7H2,1-2H3
InChIKeyZOBGGDKNJYMXQG-UHFFFAOYSA-N
XLogP0.89
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221554
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081018
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107182887
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115081093
5-[(3,4-dimethylphenyl)methyl]-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63222044
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115081192) is N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(C)c1nc(CC2CCCNC2)no1.
What is the InChIKey of N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ZOBGGDKNJYMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(12-2)11-14-10(15-16-11)6-9-4-3-5-13-7-9/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115081192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).