2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide

C22H25F3N2O2 — CID 3228837

IUPAC2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)19-8-4-7-18(15-19)21(29)10-13-27(14-11-21)16-20(28)26-12-9-17-5-2-1-3-6-17/h1-8,15,29H,9-14,16H2,(H,26,28)
InChIKeyQOXRKHCKJUJXRK-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.35
Rot. Bonds6

About 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 3228837) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID3228837
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)19-8-4-7-18(15-19)21(29)10-13-27(14-11-21)16-20(28)26-12-9-17-5-2-1-3-6-17/h1-8,15,29H,9-14,16H2,(H,26,28)
InChIKeyQOXRKHCKJUJXRK-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SR1555
CID 71470549
N-[2-[2-[4-[(3S,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-3-methylphenyl]phenyl]ethyl]acetamide
CID 46931735
5-[[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 155804579
[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
methyl N-[4-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxybutyl]carbamate
CID 145963814
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162370301
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-Allyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 650451
1-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-ethanone
CID 645006
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
(6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-(4-hydroxybenzyl)piperazine-2,3-quinone
CID 53299348

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide (CID 3228837) is 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is QOXRKHCKJUJXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c23-22(24,25)19-8-4-7-18(15-19)21(29)10-13-27(14-11-21)16-20(28)26-12-9-17-5-2-1-3-6-17/h1-8,15,29H,9-14,16H2,(H,26,28).
What are the key properties of 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 406.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3228837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).