2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone

C14H24N4O2S — CID 50971282

IUPAC2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Cc2nnc(SC)n2C)CC1
InChIInChI=1S/C14H24N4O2S/c1-4-20-10-13(19)18-7-5-11(6-8-18)9-12-15-16-14(21-3)17(12)2/h11H,4-10H2,1-3H3
InChIKeyRMPVVHMGTWFVGC-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.35
Rot. Bonds6

About 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 50971282) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID50971282
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Cc2nnc(SC)n2C)CC1
InChIInChI=1S/C14H24N4O2S/c1-4-20-10-13(19)18-7-5-11(6-8-18)9-12-15-16-14(21-3)17(12)2/h11H,4-10H2,1-3H3
InChIKeyRMPVVHMGTWFVGC-UHFFFAOYSA-N
XLogP1.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone 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 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone (CID 50971282) is 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(Cc2nnc(SC)n2C)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RMPVVHMGTWFVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-20-10-13(19)18-7-5-11(6-8-18)9-12-15-16-14(21-3)17(12)2/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 312.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50971282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).