4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H18F6N2O — CID 11316003

IUPAC4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F6N2O/c21-19(22,23)14-5-7-15(8-6-14)27-18(29)28-11-9-13(10-12-28)16-3-1-2-4-17(16)20(24,25)26/h1-8,13H,9-12H2,(H,27,29)
InChIKeyRGTLOMKJFXXXLB-UHFFFAOYSA-N
MW416.37 g/mol
LogP6.14
Rot. Bonds2

About 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11316003) has the molecular formula C20H18F6N2O and a molecular weight of 416.37 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11316003
Molecular FormulaC20H18F6N2O
Molecular Weight416.37 g/mol
Exact Mass416.13
IUPAC Name4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F6N2O/c21-19(22,23)14-5-7-15(8-6-14)27-18(29)28-11-9-13(10-12-28)16-3-1-2-4-17(16)20(24,25)26/h1-8,13H,9-12H2,(H,27,29)
InChIKeyRGTLOMKJFXXXLB-UHFFFAOYSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoproturon
CID 36679
CL 277082
CID 125893
Atglistatin
CID 71699712
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
N-[4''-(trifluoromethyl)-4-biphenylyl]urea
CID 11623295
1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831055
3-[4-(3,5-Difluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10273848
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11316003) is 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is RGTLOMKJFXXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O/c21-19(22,23)14-5-7-15(8-6-14)27-18(29)28-11-9-13(10-12-28)16-3-1-2-4-17(16)20(24,25)26/h1-8,13H,9-12H2,(H,27,29).
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11316003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).