[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

C20H23F6NO3S — CID 59447404

IUPAC[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F6NO3S/c1-17(2,31(29,30)15-5-3-4-14(12-15)19(21,22)23)13-6-10-27(11-7-13)16(28)18(8-9-18)20(24,25)26/h3-5,12-13H,6-11H2,1-2H3
InChIKeyRTAZGYXGRZWVOE-UHFFFAOYSA-N
MW471.46 g/mol
LogP4.84
Rot. Bonds4

About [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 59447404) has the molecular formula C20H23F6NO3S and a molecular weight of 471.46 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID59447404
Molecular FormulaC20H23F6NO3S
Molecular Weight471.46 g/mol
Exact Mass471.13
IUPAC Name[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F6NO3S/c1-17(2,31(29,30)15-5-3-4-14(12-15)19(21,22)23)13-6-10-27(11-7-13)16(28)18(8-9-18)20(24,25)26/h3-5,12-13H,6-11H2,1-2H3
InChIKeyRTAZGYXGRZWVOE-UHFFFAOYSA-N
XLogP4.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (CID 59447404) is [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is RTAZGYXGRZWVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6NO3S/c1-17(2,31(29,30)15-5-3-4-14(12-15)19(21,22)23)13-6-10-27(11-7-13)16(28)18(8-9-18)20(24,25)26/h3-5,12-13H,6-11H2,1-2H3.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
[1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 471.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59447404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).