N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H29N5OS — CID 3231958

IUPACN-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(SC)nnc1C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H29N5OS/c1-3-22-15(19-20-17(22)24-2)13-9-11-21(12-10-13)16(23)18-14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyPTEZHSAADLRJEQ-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.24
Rot. Bonds4

About N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 3231958) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID3231958
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC NameN-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(SC)nnc1C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H29N5OS/c1-3-22-15(19-20-17(22)24-2)13-9-11-21(12-10-13)16(23)18-14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyPTEZHSAADLRJEQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
N-cyclohexyl-2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468708
4-(5-Carbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine-1-carboxylic acid cyclohexylamide
CID 655121
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-piperidine
CID 6603483
N-cyclohexyl-2-[(4-cyclohexyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 848421
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231964
[4-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231965
[4-(5-Methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 6489314
N-(2-methylcyclohexyl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 6489374
2-[3-(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 6489375
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 6489486

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 3231958) is N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCn1c(SC)nnc1C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is PTEZHSAADLRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-3-22-15(19-20-17(22)24-2)13-9-11-21(12-10-13)16(23)18-14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3,(H,18,23).
What are the key properties of N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3231958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).