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

C20H20F4N2O — CID 46087037

IUPACN-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H20F4N2O/c21-17-5-7-18(8-6-17)25-19(27)26-11-9-15(10-12-26)13-14-1-3-16(4-2-14)20(22,23)24/h1-8,15H,9-13H2,(H,25,27)
InChIKeyRWFCUPBQXAINKU-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.33
Rot. Bonds3

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

N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 46087037) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID46087037
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC NameN-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H20F4N2O/c21-17-5-7-18(8-6-17)25-19(27)26-11-9-15(10-12-26)13-14-1-3-16(4-2-14)20(22,23)24/h1-8,15H,9-13H2,(H,25,27)
InChIKeyRWFCUPBQXAINKU-UHFFFAOYSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 46087037) is N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is RWFCUPBQXAINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O/c21-17-5-7-18(8-6-17)25-19(27)26-11-9-15(10-12-26)13-14-1-3-16(4-2-14)20(22,23)24/h1-8,15H,9-13H2,(H,25,27).
What are the key properties of N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46087037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).