[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone

C28H26F6N2O2S — CID 163964633

IUPAC[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2-c2ccccc2)CC1)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H26F6N2O2S/c1-26(2,39(38)22-10-6-9-20(15-22)27(29,30)31)19-11-13-36(14-12-19)25(37)24-23(18-7-4-3-5-8-18)16-21(17-35-24)28(32,33)34/h3-10,15-17,19H,11-14H2,1-2H3
InChIKeySKOWVVASOLJNJP-UHFFFAOYSA-N
MW568.58 g/mol
LogP7.22
Rot. Bonds5

About [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone

[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 163964633) has the molecular formula C28H26F6N2O2S and a molecular weight of 568.58 g/mol. Its IUPAC name is [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID163964633
Molecular FormulaC28H26F6N2O2S
Molecular Weight568.58 g/mol
Exact Mass568.16
IUPAC Name[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2-c2ccccc2)CC1)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H26F6N2O2S/c1-26(2,39(38)22-10-6-9-20(15-22)27(29,30)31)19-11-13-36(14-12-19)25(37)24-23(18-7-4-3-5-8-18)16-21(17-35-24)28(32,33)34/h3-10,15-17,19H,11-14H2,1-2H3
InChIKeySKOWVVASOLJNJP-UHFFFAOYSA-N
XLogP7.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]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

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone (CID 163964633) is [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)c2ncc(C(F)(F)F)cc2-c2ccccc2)CC1)S(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is SKOWVVASOLJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N2O2S/c1-26(2,39(38)22-10-6-9-20(15-22)27(29,30)31)19-11-13-36(14-12-19)25(37)24-23(18-7-4-3-5-8-18)16-21(17-35-24)28(32,33)34/h3-10,15-17,19H,11-14H2,1-2H3.
What are the key properties of [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone?
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 568.58 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-5-(trifluoromethyl)-2-pyridinyl]-[4-[2-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 163964633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).