4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

C21H21F3N2O2 — CID 42062876

IUPAC4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-8-4-5-15(13-18)14-25-20(28)26-11-9-17(10-12-26)19(27)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H,25,28)
InChIKeyAIGIFWNREZJQKH-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.51
Rot. Bonds4

About 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 42062876) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID42062876
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)18-8-4-5-15(13-18)14-25-20(28)26-11-9-17(10-12-26)19(27)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H,25,28)
InChIKeyAIGIFWNREZJQKH-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
N-[[3-(trifluoromethyl)phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide
CID 27517979
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 101041721
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 42062876) is 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(c1ccccc1)C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is AIGIFWNREZJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)18-8-4-5-15(13-18)14-25-20(28)26-11-9-17(10-12-26)19(27)16-6-2-1-3-7-16/h1-8,13,17H,9-12,14H2,(H,25,28).
What are the key properties of 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 42062876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).