N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H26N4O3S — CID 47021107

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)16-15(20)10-14-11(2)17-18(4)12(14)3/h13H,5-10H2,1-4H3,(H,16,20)
InChIKeyJMLBCUKAWXCOJM-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.51
Rot. Bonds5

About N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47021107) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47021107
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)16-15(20)10-14-11(2)17-18(4)12(14)3/h13H,5-10H2,1-4H3,(H,16,20)
InChIKeyJMLBCUKAWXCOJM-UHFFFAOYSA-N
XLogP0.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3239697
N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3236901
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307483
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010
2-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone
CID 45503121
1-Thiomorpholin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 45828456
1-[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
CID 71899340
N-butylsulfonyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71970260
N~2~-(methylsulfonyl)-N~1~-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]alaninamide
CID 91837686

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47021107) is N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JMLBCUKAWXCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-23(21,22)19-8-6-13(7-9-19)16-15(20)10-14-11(2)17-18(4)12(14)3/h13H,5-10H2,1-4H3,(H,16,20).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 342.47 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47021107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).