N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H25F3N2O — CID 2930928

IUPACN-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O/c1-26(14-17-8-3-2-4-9-17)21(28)19-11-7-13-27(16-19)15-18-10-5-6-12-20(18)22(23,24)25/h2-6,8-10,12,19H,7,11,13-16H2,1H3
InChIKeyNXOPRQUIKXFMJJ-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.58
Rot. Bonds5

About N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 2930928) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID2930928
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O/c1-26(14-17-8-3-2-4-9-17)21(28)19-11-7-13-27(16-19)15-18-10-5-6-12-20(18)22(23,24)25/h2-6,8-10,12,19H,7,11,13-16H2,1H3
InChIKeyNXOPRQUIKXFMJJ-UHFFFAOYSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 2930928) is N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NXOPRQUIKXFMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-26(14-17-8-3-2-4-9-17)21(28)19-11-7-13-27(16-19)15-18-10-5-6-12-20(18)22(23,24)25/h2-6,8-10,12,19H,7,11,13-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2930928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).