(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone

C22H25F3N4O3S — CID 112790807

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25F3N4O3S/c23-22(24,25)18-4-3-5-19(16-18)33(31,32)29-10-7-17(8-11-29)21(30)28-14-12-27(13-15-28)20-6-1-2-9-26-20/h1-6,9,16-17H,7-8,10-15H2
InChIKeyOIFBVKXIJNPEOF-UHFFFAOYSA-N
MW482.53 g/mol
LogP2.85
Rot. Bonds4

About (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone (PubChem CID 112790807) has the molecular formula C22H25F3N4O3S and a molecular weight of 482.53 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
PubChem CID112790807
Molecular FormulaC22H25F3N4O3S
Molecular Weight482.53 g/mol
Exact Mass482.16
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H25F3N4O3S/c23-22(24,25)18-4-3-5-19(16-18)33(31,32)29-10-7-17(8-11-29)21(30)28-14-12-27(13-15-28)20-6-1-2-9-26-20/h1-6,9,16-17H,7-8,10-15H2
InChIKeyOIFBVKXIJNPEOF-UHFFFAOYSA-N
XLogP2.85
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 26500737
cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 1445943
1-phenyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 46687087
pyrazin-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 9496702
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone (CID 112790807) is (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is OIFBVKXIJNPEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3S/c23-22(24,25)18-4-3-5-19(16-18)33(31,32)29-10-7-17(8-11-29)21(30)28-14-12-27(13-15-28)20-6-1-2-9-26-20/h1-6,9,16-17H,7-8,10-15H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 482.53 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 112790807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).