3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine

C16H24N4OS — CID 53192093

IUPAC3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCOCCc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1
InChIInChI=1S/C16H24N4OS/c1-12-5-6-14(22-12)11-20-8-3-4-13(10-20)16-17-15(18-19-16)7-9-21-2/h5-6,13H,3-4,7-11H2,1-2H3,(H,17,18,19)
InChIKeyZGDDVGCVDYQNRZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.74
Rot. Bonds6

About 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine

3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 53192093) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID53192093
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCOCCc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1
InChIInChI=1S/C16H24N4OS/c1-12-5-6-14(22-12)11-20-8-3-4-13(10-20)16-17-15(18-19-16)7-9-21-2/h5-6,13H,3-4,7-11H2,1-2H3,(H,17,18,19)
InChIKeyZGDDVGCVDYQNRZ-UHFFFAOYSA-N
XLogP2.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-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-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 53192093) is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine is COCCc1nc(C2CCCN(Cc3ccc(C)s3)C2)n[nH]1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is ZGDDVGCVDYQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-5-6-14(22-12)11-20-8-3-4-13(10-20)16-17-15(18-19-16)7-9-21-2/h5-6,13H,3-4,7-11H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine?
3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 320.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 53192093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).