1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

C25H24F3NO3S — CID 45256460

IUPAC1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
SMILESCC(C)(C1CCN(c2ccc3ccccc3c2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO3S/c1-24(2,33(31,32)22-9-5-8-20(15-22)25(26,27)28)19-12-13-29(23(30)16-19)21-11-10-17-6-3-4-7-18(17)14-21/h3-11,14-15,19H,12-13,16H2,1-2H3
InChIKeyGWMFIIKTITVQGL-UHFFFAOYSA-N
MW475.53 g/mol
LogP5.85
Rot. Bonds4

About 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one (PubChem CID 45256460) has the molecular formula C25H24F3NO3S and a molecular weight of 475.53 g/mol. Its IUPAC name is 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
PubChem CID45256460
Molecular FormulaC25H24F3NO3S
Molecular Weight475.53 g/mol
Exact Mass475.14
IUPAC Name1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
SMILESCC(C)(C1CCN(c2ccc3ccccc3c2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3NO3S/c1-24(2,33(31,32)22-9-5-8-20(15-22)25(26,27)28)19-12-13-29(23(30)16-19)21-11-10-17-6-3-4-7-18(17)14-21/h3-11,14-15,19H,12-13,16H2,1-2H3
InChIKeyGWMFIIKTITVQGL-UHFFFAOYSA-N
XLogP5.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The IUPAC name of 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one (CID 45256460) is 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The canonical SMILES for 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one is CC(C)(C1CCN(c2ccc3ccccc3c2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The InChIKey is GWMFIIKTITVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3S/c1-24(2,33(31,32)22-9-5-8-20(15-22)25(26,27)28)19-12-13-29(23(30)16-19)21-11-10-17-6-3-4-7-18(17)14-21/h3-11,14-15,19H,12-13,16H2,1-2H3.
What are the key properties of 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one has a molecular weight of 475.53 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one is sourced from PubChem (CID 45256460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).