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

C20H19F5N2O — CID 46087098

IUPACN-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F5N2O/c21-16-5-6-18(17(22)12-16)26-19(28)27-9-7-14(8-10-27)11-13-1-3-15(4-2-13)20(23,24)25/h1-6,12,14H,7-11H2,(H,26,28)
InChIKeyKKPXOMHQRVPKNZ-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.47
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 46087098) has the molecular formula C20H19F5N2O and a molecular weight of 398.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID46087098
Molecular FormulaC20H19F5N2O
Molecular Weight398.38 g/mol
Exact Mass398.14
IUPAC NameN-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F5N2O/c21-16-5-6-18(17(22)12-16)26-19(28)27-9-7-14(8-10-27)11-13-1-3-15(4-2-13)20(23,24)25/h1-6,12,14H,7-11H2,(H,26,28)
InChIKeyKKPXOMHQRVPKNZ-UHFFFAOYSA-N
XLogP5.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 46087098) is N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is KKPXOMHQRVPKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N2O/c21-16-5-6-18(17(22)12-16)26-19(28)27-9-7-14(8-10-27)11-13-1-3-15(4-2-13)20(23,24)25/h1-6,12,14H,7-11H2,(H,26,28).
What are the key properties of N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46087098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).