1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C15H20N4OS — CID 53192129

IUPAC1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCc1nc(C2CCCN(C(=O)Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-2-13-16-15(18-17-13)11-5-3-7-19(10-11)14(20)9-12-6-4-8-21-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17,18)
InChIKeyXZKNCSAZMMAKCR-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.38
Rot. Bonds4

About 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 53192129) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID53192129
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCCc1nc(C2CCCN(C(=O)Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-2-13-16-15(18-17-13)11-5-3-7-19(10-11)14(20)9-12-6-4-8-21-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17,18)
InChIKeyXZKNCSAZMMAKCR-UHFFFAOYSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 53192129) is 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is CCc1nc(C2CCCN(C(=O)Cc3cccs3)C2)n[nH]1.
What is the InChIKey of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is XZKNCSAZMMAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-13-16-15(18-17-13)11-5-3-7-19(10-11)14(20)9-12-6-4-8-21-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 304.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53192129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).