2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide

C15H16F4N2O3 — CID 84597675

IUPAC2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
SMILESO=C(CO)N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C15H16F4N2O3/c16-10-3-1-9(2-4-10)11-5-6-21(13(23)8-22)7-12(11)20-14(24)15(17,18)19/h1-4,11-12,22H,5-8H2,(H,20,24)
InChIKeyALTUAHXMZMBKSP-UHFFFAOYSA-N
MW348.30 g/mol
LogP1.18
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide (PubChem CID 84597675) has the molecular formula C15H16F4N2O3 and a molecular weight of 348.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
PubChem CID84597675
Molecular FormulaC15H16F4N2O3
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
SMILESO=C(CO)N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C15H16F4N2O3/c16-10-3-1-9(2-4-10)11-5-6-21(13(23)8-22)7-12(11)20-14(24)15(17,18)19/h1-4,11-12,22H,5-8H2,(H,20,24)
InChIKeyALTUAHXMZMBKSP-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
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
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidin-3-yl]acetamide
CID 133440300
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-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N-[3-[(3R,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 125144692

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide (CID 84597675) is 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide is O=C(CO)N1CCC(c2ccc(F)cc2)C(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide?
The InChIKey is ALTUAHXMZMBKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O3/c16-10-3-1-9(2-4-10)11-5-6-21(13(23)8-22)7-12(11)20-14(24)15(17,18)19/h1-4,11-12,22H,5-8H2,(H,20,24).
What are the key properties of 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide has a molecular weight of 348.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 84597675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).