2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide

C17H21F3N2O3 — CID 108932658

IUPAC2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-25-14-4-2-12(3-5-14)10-15(23)22-8-6-13(7-9-22)11-21-16(24)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24)
InChIKeyYBWBKUWKQLQGAB-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.15
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108932658) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
PubChem CID108932658
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C17H21F3N2O3/c1-25-14-4-2-12(3-5-14)10-15(23)22-8-6-13(7-9-22)11-21-16(24)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24)
InChIKeyYBWBKUWKQLQGAB-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide (CID 108932658) is 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide is COc1ccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is YBWBKUWKQLQGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-25-14-4-2-12(3-5-14)10-15(23)22-8-6-13(7-9-22)11-21-16(24)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24).
What are the key properties of 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 358.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).