N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C17H21F3N2O2 — CID 17411208

IUPACN-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H21F3N2O2/c1-11(22-9-3-4-14(10-22)17(18,19)20)16(24)21-15-7-5-13(6-8-15)12(2)23/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,24)
InChIKeyCUOTUFICBAXYOD-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.49
Rot. Bonds4

About N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 17411208) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID17411208
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C17H21F3N2O2/c1-11(22-9-3-4-14(10-22)17(18,19)20)16(24)21-15-7-5-13(6-8-15)12(2)23/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,24)
InChIKeyCUOTUFICBAXYOD-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801564
(2R)-N-(4-phenylmethoxyphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27223610
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42915661
(2S)-N-(4-acetylphenyl)-2-[(4R)-4-[benzyl(methyl)amino]azepan-1-yl]propanamide
CID 100868482

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 17411208) is N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is CC(=O)c1ccc(NC(=O)C(C)N2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is CUOTUFICBAXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-11(22-9-3-4-14(10-22)17(18,19)20)16(24)21-15-7-5-13(6-8-15)12(2)23/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 342.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 17411208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).