1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone

C23H23F3N2O2 — CID 172890602

IUPAC1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(CC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C23H23F3N2O2/c1-15-5-6-20-19(11-15)16(14-27-20)12-21(29)28-9-7-22(30,8-10-28)17-3-2-4-18(13-17)23(24,25)26/h2-6,11,13-14,27,30H,7-10,12H2,1H3
InChIKeyHDEPEYXUMWHQTH-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.55
Rot. Bonds3

About 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone (PubChem CID 172890602) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone
PubChem CID172890602
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2[nH]cc(CC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C23H23F3N2O2/c1-15-5-6-20-19(11-15)16(14-27-20)12-21(29)28-9-7-22(30,8-10-28)17-3-2-4-18(13-17)23(24,25)26/h2-6,11,13-14,27,30H,7-10,12H2,1H3
InChIKeyHDEPEYXUMWHQTH-UHFFFAOYSA-N
XLogP4.55
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 131943491
3-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 170722065
(6-chloro-1H-indol-3-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 59429659
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 70767483
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone (CID 172890602) is 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone is Cc1ccc2[nH]cc(CC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c2c1.
What is the InChIKey of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone?
The InChIKey is HDEPEYXUMWHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-15-5-6-20-19(11-15)16(14-27-20)12-21(29)28-9-7-22(30,8-10-28)17-3-2-4-18(13-17)23(24,25)26/h2-6,11,13-14,27,30H,7-10,12H2,1H3.
What are the key properties of 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone?
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone has a molecular weight of 416.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 172890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).