(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C19H25F3N2O3S — CID 17465768

IUPAC(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c1-14-7-8-15(12-17(14)28(26,27)24-10-3-2-4-11-24)18(25)23-9-5-6-16(13-23)19(20,21)22/h7-8,12,16H,2-6,9-11,13H2,1H3
InChIKeyQWDJZNALIWSCHY-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.58
Rot. Bonds3

About (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 17465768) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID17465768
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC Name(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H25F3N2O3S/c1-14-7-8-15(12-17(14)28(26,27)24-10-3-2-4-11-24)18(25)23-9-5-6-16(13-23)19(20,21)22/h7-8,12,16H,2-6,9-11,13H2,1H3
InChIKeyQWDJZNALIWSCHY-UHFFFAOYSA-N
XLogP3.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440360
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032176
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
[2-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55551826
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 17465768) is (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is QWDJZNALIWSCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-14-7-8-15(12-17(14)28(26,27)24-10-3-2-4-11-24)18(25)23-9-5-6-16(13-23)19(20,21)22/h7-8,12,16H,2-6,9-11,13H2,1H3.
What are the key properties of (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 418.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 17465768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).