N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

C21H19F5N2O2 — CID 133440232

IUPACN-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1c(F)cccc1N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C21H19F5N2O2/c1-12(29)19-16(23)3-2-4-18(19)28-10-9-15(13-5-7-14(22)8-6-13)17(11-28)27-20(30)21(24,25)26/h2-8,15,17H,9-11H2,1H3,(H,27,30)
InChIKeyOCDJRFODXYOLHO-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.21
Rot. Bonds4

About N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide

N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 133440232) has the molecular formula C21H19F5N2O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID133440232
Molecular FormulaC21H19F5N2O2
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC NameN-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1c(F)cccc1N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C21H19F5N2O2/c1-12(29)19-16(23)3-2-4-18(19)28-10-9-15(13-5-7-14(22)8-6-13)17(11-28)27-20(30)21(24,25)26/h2-8,15,17H,9-11H2,1H3,(H,27,30)
InChIKeyOCDJRFODXYOLHO-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
N-[1-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440284
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440214
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
CID 133440300
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
(3S)-1-(2-acetyl-3-fluorophenyl)-N-ethylpyrrolidine-3-sulfonamide
CID 97158073
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide (CID 133440232) is N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is CC(=O)c1c(F)cccc1N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OCDJRFODXYOLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N2O2/c1-12(29)19-16(23)3-2-4-18(19)28-10-9-15(13-5-7-14(22)8-6-13)17(11-28)27-20(30)21(24,25)26/h2-8,15,17H,9-11H2,1H3,(H,27,30).
What are the key properties of N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 426.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133440232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).