[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C19H25F3N2O3S — CID 3698407

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1
InChIInChI=1S/C19H25F3N2O3S/c1-14-4-6-17(7-5-14)28(26,27)24-11-8-15(9-12-24)18(25)23-10-2-3-16(13-23)19(20,21)22/h4-7,15-16H,2-3,8-13H2,1H3
InChIKeyLMZFVBJFUXJGDG-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.20
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 3698407) has the molecular formula C19H25F3N2O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID3698407
Molecular FormulaC19H25F3N2O3S
Molecular Weight418.48 g/mol
Exact Mass418.15
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1
InChIInChI=1S/C19H25F3N2O3S/c1-14-4-6-17(7-5-14)28(26,27)24-11-8-15(9-12-24)18(25)23-10-2-3-16(13-23)19(20,21)22/h4-7,15-16H,2-3,8-13H2,1H3
InChIKeyLMZFVBJFUXJGDG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 3698407) is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC(C(F)(F)F)C3)CC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is LMZFVBJFUXJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3S/c1-14-4-6-17(7-5-14)28(26,27)24-11-8-15(9-12-24)18(25)23-10-2-3-16(13-23)19(20,21)22/h4-7,15-16H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 418.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 3698407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).