2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C17H23F3N4O3S — CID 78896837

IUPAC2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N4O3S/c18-17(19,20)14-3-2-6-23(12-14)16(25)13-22-7-9-24(10-8-22)28(26,27)15-4-1-5-21-11-15/h1,4-5,11,14H,2-3,6-10,12-13H2
InChIKeyYXUAWHCZLSXGTQ-UHFFFAOYSA-N
MW420.46 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 78896837) has the molecular formula C17H23F3N4O3S and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID78896837
Molecular FormulaC17H23F3N4O3S
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H23F3N4O3S/c18-17(19,20)14-3-2-6-23(12-14)16(25)13-22-7-9-24(10-8-22)28(26,27)15-4-1-5-21-11-15/h1,4-5,11,14H,2-3,6-10,12-13H2
InChIKeyYXUAWHCZLSXGTQ-UHFFFAOYSA-N
XLogP1.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87012618
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 39010181
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063733
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 75463672
1-pyridin-3-ylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 37067319
N-(2-cyanoethyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39012931
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440130
1-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610725

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 78896837) is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YXUAWHCZLSXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3S/c18-17(19,20)14-3-2-6-23(12-14)16(25)13-22-7-9-24(10-8-22)28(26,27)15-4-1-5-21-11-15/h1,4-5,11,14H,2-3,6-10,12-13H2.
What are the key properties of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 420.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 78896837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).