N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide

C17H23F3N2O2 — CID 16895535

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCOCCN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-24-11-10-22-8-6-13(7-9-22)12-21-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23)
InChIKeyUSBYAVGLTUWUQO-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.79
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 16895535) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID16895535
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCOCCN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-24-11-10-22-8-6-13(7-9-22)12-21-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23)
InChIKeyUSBYAVGLTUWUQO-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide (CID 16895535) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide is COCCN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is USBYAVGLTUWUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-24-11-10-22-8-6-13(7-9-22)12-21-16(23)14-4-2-3-5-15(14)17(18,19)20/h2-5,13H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16895535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).