2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

C18H23F3N2O3 — CID 108932815

IUPAC2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESCCc1ccccc1OCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-2-14-5-3-4-6-15(14)26-12-16(24)22-11-13-7-9-23(10-8-13)17(25)18(19,20)21/h3-6,13H,2,7-12H2,1H3,(H,22,24)
InChIKeyLYIRIONWSDPJPV-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide

2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108932815) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
PubChem CID108932815
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
SMILESCCc1ccccc1OCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-2-14-5-3-4-6-15(14)26-12-16(24)22-11-13-7-9-23(10-8-13)17(25)18(19,20)21/h3-6,13H,2,7-12H2,1H3,(H,22,24)
InChIKeyLYIRIONWSDPJPV-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
[3-[4-[[[2-(2-ethylphenoxy)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927224
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932878
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55652389
2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide (CID 108932815) is 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is CCc1ccccc1OCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is LYIRIONWSDPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-2-14-5-3-4-6-15(14)26-12-16(24)22-11-13-7-9-23(10-8-13)17(25)18(19,20)21/h3-6,13H,2,7-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide?
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).