[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine

C15H22N4OS — CID 103353164

IUPAC[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2noc(-c3ccsc3)n2)C(CN)C1
InChIInChI=1S/C15H22N4OS/c1-2-11-3-5-19(13(7-11)8-16)9-14-17-15(20-18-14)12-4-6-21-10-12/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3
InChIKeyBCDZDUOAHVFHFM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.75
Rot. Bonds5

About [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine

[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 103353164) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
PubChem CID103353164
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2noc(-c3ccsc3)n2)C(CN)C1
InChIInChI=1S/C15H22N4OS/c1-2-11-3-5-19(13(7-11)8-16)9-14-17-15(20-18-14)12-4-6-21-10-12/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3
InChIKeyBCDZDUOAHVFHFM-UHFFFAOYSA-N
XLogP2.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine 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 [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine (CID 103353164) is [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine is CCC1CCN(Cc2noc(-c3ccsc3)n2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is BCDZDUOAHVFHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-11-3-5-19(13(7-11)8-16)9-14-17-15(20-18-14)12-4-6-21-10-12/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3.
What are the key properties of [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 306.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103353164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).