1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C11H20N4O — CID 115077179

IUPAC1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCCN1CCC(c2nc(CNC)no2)CC1
InChIInChI=1S/C11H20N4O/c1-3-15-6-4-9(5-7-15)11-13-10(8-12-2)14-16-11/h9,12H,3-8H2,1-2H3
InChIKeyUGEXAQNIQGGAFW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.99
Rot. Bonds4

About 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 115077179) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID115077179
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCCN1CCC(c2nc(CNC)no2)CC1
InChIInChI=1S/C11H20N4O/c1-3-15-6-4-9(5-7-15)11-13-10(8-12-2)14-16-11/h9,12H,3-8H2,1-2H3
InChIKeyUGEXAQNIQGGAFW-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115077042
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
1-[3-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 115080984
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104879922
3-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115082255
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
N-methyl-1-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131165617

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 115077179) is 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CCN1CCC(c2nc(CNC)no2)CC1.
What is the InChIKey of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is UGEXAQNIQGGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-6-4-9(5-7-15)11-13-10(8-12-2)14-16-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 115077179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).