N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

C21H23F3N2O2 — CID 71584823

IUPACN-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)
InChIKeyIVOIYPHGIHJNMU-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.11
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 71584823) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID71584823
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)
InChIKeyIVOIYPHGIHJNMU-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 71584823) is N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is CN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is IVOIYPHGIHJNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 71584823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).