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

C18H31N5OS — CID 6489374

IUPACN-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1C
InChIInChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24)
InChIKeyKWVPCEYTUUHIGH-UHFFFAOYSA-N
MW365.55 g/mol
LogP2.41
Rot. Bonds5

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

N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 6489374) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID6489374
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC NameN-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1C
InChIInChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24)
InChIKeyKWVPCEYTUUHIGH-UHFFFAOYSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 6489374) is N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CSc1nnc(C2CCCN(CC(=O)NC3CCCCC3C)C2)n1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is KWVPCEYTUUHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-13-7-4-5-9-15(13)19-16(24)12-23-10-6-8-14(11-23)17-20-21-18(25-3)22(17)2/h13-15H,4-12H2,1-3H3,(H,19,24).
What are the key properties of N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 365.55 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 6489374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).