4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C23H28F2N2O — CID 46089264

IUPAC4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(CC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H28F2N2O/c1-23(2,3)18-6-4-16(5-7-18)14-17-10-12-27(13-11-17)22(28)26-21-9-8-19(24)15-20(21)25/h4-9,15,17H,10-14H2,1-3H3,(H,26,28)
InChIKeyXRUHHSUOWHMFKN-UHFFFAOYSA-N
MW386.49 g/mol
LogP5.75
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide

4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 46089264) has the molecular formula C23H28F2N2O and a molecular weight of 386.49 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID46089264
Molecular FormulaC23H28F2N2O
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(CC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H28F2N2O/c1-23(2,3)18-6-4-16(5-7-18)14-17-10-12-27(13-11-17)22(28)26-21-9-8-19(24)15-20(21)25/h4-9,15,17H,10-14H2,1-3H3,(H,26,28)
InChIKeyXRUHHSUOWHMFKN-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 46089264) is 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide is CC(C)(C)c1ccc(CC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is XRUHHSUOWHMFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O/c1-23(2,3)18-6-4-16(5-7-18)14-17-10-12-27(13-11-17)22(28)26-21-9-8-19(24)15-20(21)25/h4-9,15,17H,10-14H2,1-3H3,(H,26,28).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide?
4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46089264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).