N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide

C14H25N5OS — CID 86285872

IUPACN-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCSCCc1nc(CNC(C)=O)n(C2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5OS/c1-11(20)15-10-14-16-13(6-9-21-3)17-19(14)12-4-7-18(2)8-5-12/h12H,4-10H2,1-3H3,(H,15,20)
InChIKeyOMHUCKPLMOFGSX-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.09
Rot. Bonds6

About N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide

N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 86285872) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID86285872
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC NameN-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCSCCc1nc(CNC(C)=O)n(C2CCN(C)CC2)n1
InChIInChI=1S/C14H25N5OS/c1-11(20)15-10-14-16-13(6-9-21-3)17-19(14)12-4-7-18(2)8-5-12/h12H,4-10H2,1-3H3,(H,15,20)
InChIKeyOMHUCKPLMOFGSX-UHFFFAOYSA-N
XLogP1.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide (CID 86285872) is N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide is CSCCc1nc(CNC(C)=O)n(C2CCN(C)CC2)n1.
What is the InChIKey of N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is OMHUCKPLMOFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-11(20)15-10-14-16-13(6-9-21-3)17-19(14)12-4-7-18(2)8-5-12/h12H,4-10H2,1-3H3,(H,15,20).
What are the key properties of N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 311.46 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpiperidin-4-yl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 86285872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).