2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C23H27F3N2O3 — CID 86812682

IUPAC2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H27F3N2O3/c1-2-30-20-6-8-21(9-7-20)31-16-22(29)27-19-10-12-28(13-11-19)15-17-4-3-5-18(14-17)23(24,25)26/h3-9,14,19H,2,10-13,15-16H2,1H3,(H,27,29)
InChIKeyKZEJEAAEANIVRY-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.26
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 86812682) has the molecular formula C23H27F3N2O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID86812682
Molecular FormulaC23H27F3N2O3
Molecular Weight436.47 g/mol
Exact Mass436.20
IUPAC Name2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H27F3N2O3/c1-2-30-20-6-8-21(9-7-20)31-16-22(29)27-19-10-12-28(13-11-19)15-17-4-3-5-18(14-17)23(24,25)26/h3-9,14,19H,2,10-13,15-16H2,1H3,(H,27,29)
InChIKeyKZEJEAAEANIVRY-UHFFFAOYSA-N
XLogP4.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 55946647
3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55945493
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 86812682) is 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is CCOc1ccc(OCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is KZEJEAAEANIVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3/c1-2-30-20-6-8-21(9-7-20)31-16-22(29)27-19-10-12-28(13-11-19)15-17-4-3-5-18(14-17)23(24,25)26/h3-9,14,19H,2,10-13,15-16H2,1H3,(H,27,29).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 86812682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).