[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C21H21F3N2O3 — CID 55320533

IUPAC[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)17-6-4-5-15(13-17)14-29-19(27)16-9-11-26(12-10-16)20(28)25-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,25,28)
InChIKeyRFXCIVMOEYRAGM-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.69
Rot. Bonds4

About [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 55320533) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID55320533
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(OCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21F3N2O3/c22-21(23,24)17-6-4-5-15(13-17)14-29-19(27)16-9-11-26(12-10-16)20(28)25-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,25,28)
InChIKeyRFXCIVMOEYRAGM-UHFFFAOYSA-N
XLogP4.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55757120
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
(4,5-dimethoxy-2-methylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836685
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 55320533) is [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(OCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is RFXCIVMOEYRAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c22-21(23,24)17-6-4-5-15(13-17)14-29-19(27)16-9-11-26(12-10-16)20(28)25-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,25,28).
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 406.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55320533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).