3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

C23H26F3N3O2 — CID 53117362

IUPAC3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-16-8-10-17(11-9-16)14-27-20(30)22(2)12-5-13-29(15-22)21(31)28-19-7-4-3-6-18(19)23(24,25)26/h3-4,6-11H,5,12-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUFWOTFOQWAHKHV-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.96
Rot. Bonds4

About 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 53117362) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID53117362
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C23H26F3N3O2/c1-16-8-10-17(11-9-16)14-27-20(30)22(2)12-5-13-29(15-22)21(31)28-19-7-4-3-6-18(19)23(24,25)26/h3-4,6-11H,5,12-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUFWOTFOQWAHKHV-UHFFFAOYSA-N
XLogP4.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide (CID 53117362) is 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is Cc1ccc(CNC(=O)C2(C)CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)cc1.
What is the InChIKey of 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is UFWOTFOQWAHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-16-8-10-17(11-9-16)14-27-20(30)22(2)12-5-13-29(15-22)21(31)28-19-7-4-3-6-18(19)23(24,25)26/h3-4,6-11H,5,12-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide?
3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).