2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide

C18H23F3N2O3 — CID 108548713

IUPAC2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1C
InChIInChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)23-8-6-14(7-9-23)22-17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,25)
InChIKeyFBCOPZGDACRUOB-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.66
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108548713) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108548713
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1C
InChIInChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)23-8-6-14(7-9-23)22-17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,25)
InChIKeyFBCOPZGDACRUOB-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.66
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-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108548713) is 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(F)(F)F)CC2)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is FBCOPZGDACRUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)23-8-6-14(7-9-23)22-17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,25).
What are the key properties of 2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.66, 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-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).