3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine

C15H22N4S — CID 53192666

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCCn1cnnc1C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C15H22N4S/c1-3-19-11-16-17-15(19)13-5-4-7-18(9-13)10-14-12(2)6-8-20-14/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyVYABADSVIAIIEH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.05
Rot. Bonds4

About 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine

3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 53192666) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID53192666
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCCn1cnnc1C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C15H22N4S/c1-3-19-11-16-17-15(19)13-5-4-7-18(9-13)10-14-12(2)6-8-20-14/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyVYABADSVIAIIEH-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine 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 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine (CID 53192666) is 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine is CCn1cnnc1C1CCCN(Cc2sccc2C)C1.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is VYABADSVIAIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-19-11-16-17-15(19)13-5-4-7-18(9-13)10-14-12(2)6-8-20-14/h6,8,11,13H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine?
3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 290.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 53192666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).