2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C23H24F7N3O — CID 164621662

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F7N3O/c1-13-7-9-33(10-8-13)20-16(4-6-19(32-20)23(28,29)30)12-31-21(34)14(2)15-3-5-18(24)17(11-15)22(25,26)27/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,31,34)
InChIKeyYWOMPOPOLDJGOY-UHFFFAOYSA-N
MW491.45 g/mol
LogP5.91
Rot. Bonds5

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 164621662) has the molecular formula C23H24F7N3O and a molecular weight of 491.45 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID164621662
Molecular FormulaC23H24F7N3O
Molecular Weight491.45 g/mol
Exact Mass491.18
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F7N3O/c1-13-7-9-33(10-8-13)20-16(4-6-19(32-20)23(28,29)30)12-31-21(34)14(2)15-3-5-18(24)17(11-15)22(25,26)27/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,31,34)
InChIKeyYWOMPOPOLDJGOY-UHFFFAOYSA-N
XLogP5.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 164621662) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is YWOMPOPOLDJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F7N3O/c1-13-7-9-33(10-8-13)20-16(4-6-19(32-20)23(28,29)30)12-31-21(34)14(2)15-3-5-18(24)17(11-15)22(25,26)27/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,31,34).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 491.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 164621662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).