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

C15H19F3N2O — CID 42542209

IUPACN-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c1-19-14(21)11-6-8-20(9-7-11)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyXDRXESJISVUGNG-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.66
Rot. Bonds3

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

N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 42542209) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID42542209
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c1-19-14(21)11-6-8-20(9-7-11)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21)
InChIKeyXDRXESJISVUGNG-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
CID 175288656
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 42542209) is N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CNC(=O)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is XDRXESJISVUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19-14(21)11-6-8-20(9-7-11)10-12-4-2-3-5-13(12)15(16,17)18/h2-5,11H,6-10H2,1H3,(H,19,21).
What are the key properties of N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42542209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).