[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate

C23H24F3NO3 — CID 46086782

IUPAC[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H24F3NO3/c1-16(28)30-21(19-5-3-2-4-6-19)22(29)27-13-11-18(12-14-27)15-17-7-9-20(10-8-17)23(24,25)26/h2-10,18,21H,11-15H2,1H3
InChIKeyMKRCMHWISYKSFU-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.79
Rot. Bonds5

About [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate

[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate (PubChem CID 46086782) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate
PubChem CID46086782
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C23H24F3NO3/c1-16(28)30-21(19-5-3-2-4-6-19)22(29)27-13-11-18(12-14-27)15-17-7-9-20(10-8-17)23(24,25)26/h2-10,18,21H,11-15H2,1H3
InChIKeyMKRCMHWISYKSFU-UHFFFAOYSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenbutrazate
CID 20395
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
CID 4073358
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
Benzyl 1-acetyl-2-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylate
CID 46884617
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852
[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
CID 3230486
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 4-methylbenzoate
CID 4383633
[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538349
1-(2,6-Difluorophenyl)-2-morpholino-2-oxoethyl acetate
CID 3781514
[1-(4-Methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-methylbenzoyl)benzoate
CID 16288557

Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate?
The IUPAC name of [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate (CID 46086782) is [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate.
What is the SMILES notation for [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate?
The canonical SMILES for [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate is CC(=O)OC(C(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate?
The InChIKey is MKRCMHWISYKSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-16(28)30-21(19-5-3-2-4-6-19)22(29)27-13-11-18(12-14-27)15-17-7-9-20(10-8-17)23(24,25)26/h2-10,18,21H,11-15H2,1H3.
What are the key properties of [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate?
[2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate has a molecular weight of 419.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl] acetate is sourced from PubChem (CID 46086782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).