1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone

C23H23F3N2O3S — CID 20902781

IUPAC1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C23H23F3N2O3S/c24-23(25,26)18-10-8-17(9-11-18)16-32(30,31)21-14-28(20-7-3-2-6-19(20)21)15-22(29)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13,15-16H2
InChIKeyWXAXXZBTMNSSQD-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.65
Rot. Bonds5

About 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone

1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone (PubChem CID 20902781) has the molecular formula C23H23F3N2O3S and a molecular weight of 464.51 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
PubChem CID20902781
Molecular FormulaC23H23F3N2O3S
Molecular Weight464.51 g/mol
Exact Mass464.14
IUPAC Name1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C23H23F3N2O3S/c24-23(25,26)18-10-8-17(9-11-18)16-32(30,31)21-14-28(20-7-3-2-6-19(20)21)15-22(29)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13,15-16H2
InChIKeyWXAXXZBTMNSSQD-UHFFFAOYSA-N
XLogP4.65
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911073
1-(azepan-1-yl)-2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 18563618
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetonitrile
CID 18563458
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 43958376
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911132

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone (CID 20902781) is 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone is O=C(Cn1cc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone?
The InChIKey is WXAXXZBTMNSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3S/c24-23(25,26)18-10-8-17(9-11-18)16-32(30,31)21-14-28(20-7-3-2-6-19(20)21)15-22(29)27-12-4-1-5-13-27/h2-3,6-11,14H,1,4-5,12-13,15-16H2.
What are the key properties of 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone?
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone has a molecular weight of 464.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone is sourced from PubChem (CID 20902781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).