1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine

C16H28N4O2S — CID 9184151

IUPAC1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
SMILESCc1nn(CN2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H28N4O2S/c1-14-16(23(21,22)19-11-7-4-8-12-19)15(2)20(17-14)13-18-9-5-3-6-10-18/h3-13H2,1-2H3
InChIKeyQHGLEUDZWPUYSN-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.12
Rot. Bonds4

About 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine

1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine (PubChem CID 9184151) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
PubChem CID9184151
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
SMILESCc1nn(CN2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H28N4O2S/c1-14-16(23(21,22)19-11-7-4-8-12-19)15(2)20(17-14)13-18-9-5-3-6-10-18/h3-13H2,1-2H3
InChIKeyQHGLEUDZWPUYSN-UHFFFAOYSA-N
XLogP2.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine
CID 9280783
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
CID 9193193
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 9193605
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 55733208
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
CID 51210125
[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-cyclopentylmethanone
CID 16896651
cyclopropyl-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285907
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
2-cyclohexyl-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
CID 18565356
5-fluoro-1,3-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 155881756

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine (CID 9184151) is 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine is Cc1nn(CN2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine?
The InChIKey is QHGLEUDZWPUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-14-16(23(21,22)19-11-7-4-8-12-19)15(2)20(17-14)13-18-9-5-3-6-10-18/h3-13H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine?
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine has a molecular weight of 340.49 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 9184151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).