2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide

C20H35N5OS — CID 6489375

IUPAC2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCCSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1CC
InChIInChI=1S/C20H35N5OS/c1-4-25-19(22-23-20(25)27-5-2)16-10-8-12-24(13-16)14-18(26)21-17-11-7-6-9-15(17)3/h15-17H,4-14H2,1-3H3,(H,21,26)
InChIKeyCGRJPCRPGVMRMK-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.28
Rot. Bonds7

About 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide

2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 6489375) has the molecular formula C20H35N5OS and a molecular weight of 393.60 g/mol. Its IUPAC name is 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID6489375
Molecular FormulaC20H35N5OS
Molecular Weight393.60 g/mol
Exact Mass393.26
IUPAC Name2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCCSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1CC
InChIInChI=1S/C20H35N5OS/c1-4-25-19(22-23-20(25)27-5-2)16-10-8-12-24(13-16)14-18(26)21-17-11-7-6-9-15(17)3/h15-17H,4-14H2,1-3H3,(H,21,26)
InChIKeyCGRJPCRPGVMRMK-UHFFFAOYSA-N
XLogP3.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 6489375) is 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide is CCSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1CC.
What is the InChIKey of 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is CGRJPCRPGVMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5OS/c1-4-25-19(22-23-20(25)27-5-2)16-10-8-12-24(13-16)14-18(26)21-17-11-7-6-9-15(17)3/h15-17H,4-14H2,1-3H3,(H,21,26).
What are the key properties of 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 393.60 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 6489375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).