pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone

C18H18F3N3O3S — CID 49430103

IUPACpyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)28(26,27)16-4-2-1-3-15(16)23-14-7-11-24(12-8-14)17(25)13-5-9-22-10-6-13/h1-6,9-10,14,23H,7-8,11-12H2
InChIKeyYIPVKBLWMWISBF-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.09
Rot. Bonds4

About pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone

pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone (PubChem CID 49430103) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
PubChem CID49430103
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Namepyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H18F3N3O3S/c19-18(20,21)28(26,27)16-4-2-1-3-15(16)23-14-7-11-24(12-8-14)17(25)13-5-9-22-10-6-13/h1-6,9-10,14,23H,7-8,11-12H2
InChIKeyYIPVKBLWMWISBF-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 133283279
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968
1-methylsulfonyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-3-amine
CID 47982910
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone (CID 49430103) is pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
The InChIKey is YIPVKBLWMWISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c19-18(20,21)28(26,27)16-4-2-1-3-15(16)23-14-7-11-24(12-8-14)17(25)13-5-9-22-10-6-13/h1-6,9-10,14,23H,7-8,11-12H2.
What are the key properties of pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone?
pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone has a molecular weight of 413.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-[2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 49430103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).