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

C15H22N4OS — CID 53192100

IUPAC3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine
SMILESCOCCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H22N4OS/c1-20-8-6-14-16-15(18-17-14)12-4-2-7-19(10-12)11-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,16,17,18)
InChIKeyZMLZWPFFAGFUIL-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.43
Rot. Bonds6

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

3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 53192100) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine
PubChem CID53192100
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine
SMILESCOCCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H22N4OS/c1-20-8-6-14-16-15(18-17-14)12-4-2-7-19(10-12)11-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,16,17,18)
InChIKeyZMLZWPFFAGFUIL-UHFFFAOYSA-N
XLogP2.43
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine (CID 53192100) is 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine is COCCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is ZMLZWPFFAGFUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-20-8-6-14-16-15(18-17-14)12-4-2-7-19(10-12)11-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H,16,17,18).
What are the key properties of 3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine?
3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 306.44 g/mol, XLogP of 2.43, 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-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 53192100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).