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

C18H23F3N2O3 — CID 108553211

IUPACN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1C
InChIInChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)22-14-6-8-23(9-7-14)17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,24)
InChIKeyIVKMUNYTRJSAIC-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.66
Rot. Bonds4

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

N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 108553211) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID108553211
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1C
InChIInChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)22-14-6-8-23(9-7-14)17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,24)
InChIKeyIVKMUNYTRJSAIC-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 N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide (CID 108553211) is N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)C(F)(F)F)CC2)c1C.
What is the InChIKey of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is IVKMUNYTRJSAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-11-4-5-12(2)16(13(11)3)26-10-15(24)22-14-6-8-23(9-7-14)17(25)18(19,20)21/h4-5,14H,6-10H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)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 N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 108553211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).