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

C13H24N4O — CID 115081200

IUPAC1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCC(Cc2noc(C(C)NC)n2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-6-11(9-17)8-12-15-13(18-16-12)10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyRSQCIFVMXYAVDI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds5

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

1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 115081200) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID115081200
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCCN1CCCC(Cc2noc(C(C)NC)n2)C1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-6-11(9-17)8-12-15-13(18-16-12)10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyRSQCIFVMXYAVDI-UHFFFAOYSA-N
XLogP1.62
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081238
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078590
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
N-methyl-1-[3-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081018
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517
3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080750
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-piperidin-2-yl-1,2,4-oxadiazole
CID 115080779
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080219
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 115081200) is 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CCN1CCCC(Cc2noc(C(C)NC)n2)C1.
What is the InChIKey of 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is RSQCIFVMXYAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-7-5-6-11(9-17)8-12-15-13(18-16-12)10(2)14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115081200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).