N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

C27H26F3N3O3 — CID 145485865

IUPACN-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C27H26F3N3O3/c28-27(29,30)21-9-5-11-24(17-21)36-23-12-14-33(15-13-23)26(35)32-22-10-4-8-20(16-22)25(34)31-18-19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,31,34)(H,32,35)
InChIKeyWAIFRXDNZCNVFE-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.71
Rot. Bonds6

About N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (PubChem CID 145485865) has the molecular formula C27H26F3N3O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
PubChem CID145485865
Molecular FormulaC27H26F3N3O3
Molecular Weight497.52 g/mol
Exact Mass497.19
IUPAC NameN-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C27H26F3N3O3/c28-27(29,30)21-9-5-11-24(17-21)36-23-12-14-33(15-13-23)26(35)32-22-10-4-8-20(16-22)25(34)31-18-19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,31,34)(H,32,35)
InChIKeyWAIFRXDNZCNVFE-UHFFFAOYSA-N
XLogP5.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2-[[3-[[4-(3-fluorophenoxy)piperidine-1-carbonyl]amino]benzoyl]amino]acetic acid
CID 145485903
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42147497
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
3-(3-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 136530045
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
CID 145485958
N-benzyl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]piperidine-1-carboxamide
CID 45237908

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (CID 145485865) is N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is O=C(NCc1ccccc1)c1cccc(NC(=O)N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is WAIFRXDNZCNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O3/c28-27(29,30)21-9-5-11-24(17-21)36-23-12-14-33(15-13-23)26(35)32-22-10-4-8-20(16-22)25(34)31-18-19-6-2-1-3-7-19/h1-11,16-17,23H,12-15,18H2,(H,31,34)(H,32,35).
What are the key properties of N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 145485865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).