2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C23H26F3N3O3 — CID 25221514

IUPAC2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H26F3N3O3/c1-14-7-9-29(10-8-14)21-17(4-6-20(28-21)23(24,25)26)12-27-22(30)15(2)16-3-5-18-19(11-16)32-13-31-18/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,27,30)
InChIKeyJCIRPZOCWWVWDA-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.49
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25221514) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25221514
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C23H26F3N3O3/c1-14-7-9-29(10-8-14)21-17(4-6-20(28-21)23(24,25)26)12-27-22(30)15(2)16-3-5-18-19(11-16)32-13-31-18/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,27,30)
InChIKeyJCIRPZOCWWVWDA-UHFFFAOYSA-N
XLogP4.49
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide 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 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25221514) is 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is JCIRPZOCWWVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-14-7-9-29(10-8-14)21-17(4-6-20(28-21)23(24,25)26)12-27-22(30)15(2)16-3-5-18-19(11-16)32-13-31-18/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,27,30).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 449.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25221514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).