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

C23H23F3N2O4 — CID 42090586

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)18-8-6-16(7-9-18)14-21(30)32-15-20(29)28-12-10-17(11-13-28)22(31)27-19-4-2-1-3-5-19/h1-9,17H,10-15H2,(H,27,31)
InChIKeyINNOLSVIUXGZIE-UHFFFAOYSA-N
MW448.44 g/mol
LogP3.67
Rot. Bonds6

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

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 42090586) has the molecular formula C23H23F3N2O4 and a molecular weight of 448.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID42090586
Molecular FormulaC23H23F3N2O4
Molecular Weight448.44 g/mol
Exact Mass448.16
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H23F3N2O4/c24-23(25,26)18-8-6-16(7-9-18)14-21(30)32-15-20(29)28-12-10-17(11-13-28)22(31)27-19-4-2-1-3-5-19/h1-9,17H,10-15H2,(H,27,31)
InChIKeyINNOLSVIUXGZIE-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate with MolForge

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Related Compounds

1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 55459920
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 23996066
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
ethyl 2-[4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]phenyl]acetate
CID 100798707
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994294
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate (CID 42090586) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate is O=C(Cc1ccc(C(F)(F)F)cc1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is INNOLSVIUXGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4/c24-23(25,26)18-8-6-16(7-9-18)14-21(30)32-15-20(29)28-12-10-17(11-13-28)22(31)27-19-4-2-1-3-5-19/h1-9,17H,10-15H2,(H,27,31).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 448.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 42090586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).