N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

C26H26F3N3O2 — CID 118711013

IUPACN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33)
InChIKeyJPXDIVWWVSAUEE-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.07
Rot. Bonds7

About N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 118711013) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID118711013
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESO=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33)
InChIKeyJPXDIVWWVSAUEE-UHFFFAOYSA-N
XLogP5.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]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 N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 118711013) is N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is JPXDIVWWVSAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c27-26(28,29)22-7-9-24(10-8-22)34-18-19-3-5-21(6-4-19)25(33)31-23-11-14-32(15-12-23)17-20-2-1-13-30-16-20/h1-10,13,16,23H,11-12,14-15,17-18H2,(H,31,33).
What are the key properties of N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 469.51 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 118711013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).