4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide

C23H26F4N2O — CID 23723374

IUPAC4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26F4N2O/c1-28(22(30)19-5-7-21(24)8-6-19)16-18-10-13-29(14-11-18)12-9-17-3-2-4-20(15-17)23(25,26)27/h2-8,15,18H,9-14,16H2,1H3
InChIKeyFUNWDEBUGVERHR-UHFFFAOYSA-N
MW422.47 g/mol
LogP4.87
Rot. Bonds6

About 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide

4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 23723374) has the molecular formula C23H26F4N2O and a molecular weight of 422.47 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID23723374
Molecular FormulaC23H26F4N2O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Name4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide
SMILESCN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26F4N2O/c1-28(22(30)19-5-7-21(24)8-6-19)16-18-10-13-29(14-11-18)12-9-17-3-2-4-20(15-17)23(25,26)27/h2-8,15,18H,9-14,16H2,1H3
InChIKeyFUNWDEBUGVERHR-UHFFFAOYSA-N
XLogP4.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide (CID 23723374) is 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide is CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is FUNWDEBUGVERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O/c1-28(22(30)19-5-7-21(24)8-6-19)16-18-10-13-29(14-11-18)12-9-17-3-2-4-20(15-17)23(25,26)27/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide?
4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 422.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 23723374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).