2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide

C15H19F3N2O — CID 16756399

IUPAC2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide
SMILESCC(C)C(=O)Nc1c(F)cc(F)c(C2CCNCC2)c1F
InChIInChI=1S/C15H19F3N2O/c1-8(2)15(21)20-14-11(17)7-10(16)12(13(14)18)9-3-5-19-6-4-9/h7-9,19H,3-6H2,1-2H3,(H,20,21)
InChIKeyPAUCOBGGPTZVJI-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide

2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide (PubChem CID 16756399) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide
PubChem CID16756399
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide
SMILESCC(C)C(=O)Nc1c(F)cc(F)c(C2CCNCC2)c1F
InChIInChI=1S/C15H19F3N2O/c1-8(2)15(21)20-14-11(17)7-10(16)12(13(14)18)9-3-5-19-6-4-9/h7-9,19H,3-6H2,1-2H3,(H,20,21)
InChIKeyPAUCOBGGPTZVJI-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide?
The IUPAC name of 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide (CID 16756399) is 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide?
The canonical SMILES for 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide is CC(C)C(=O)Nc1c(F)cc(F)c(C2CCNCC2)c1F.
What is the InChIKey of 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide?
The InChIKey is PAUCOBGGPTZVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-8(2)15(21)20-14-11(17)7-10(16)12(13(14)18)9-3-5-19-6-4-9/h7-9,19H,3-6H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide?
2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trifluoro-3-piperidin-4-ylphenyl)propanamide is sourced from PubChem (CID 16756399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).