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

C16H19F3N2O3 — CID 108548756

IUPAC2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H19F3N2O3/c1-11-2-4-13(5-3-11)24-10-14(22)21-8-6-12(7-9-21)20-15(23)16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,23)
InChIKeyYCZOCYAOIZBTDI-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.04
Rot. Bonds4

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

2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108548756) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108548756
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H19F3N2O3/c1-11-2-4-13(5-3-11)24-10-14(22)21-8-6-12(7-9-21)20-15(23)16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,23)
InChIKeyYCZOCYAOIZBTDI-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
2-(1,3-dioxoisoindol-2-yl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551994

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108548756) is 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is YCZOCYAOIZBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-11-2-4-13(5-3-11)24-10-14(22)21-8-6-12(7-9-21)20-15(23)16(17,18)19/h2-5,12H,6-10H2,1H3,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 344.33 g/mol, XLogP of 2.04, 4 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-methylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).