1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone

C22H25F3N2O3 — CID 56552560

IUPAC1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
SMILESCCOc1ccccc1OC1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N2O3/c1-2-29-19-8-3-4-9-20(19)30-18-10-12-27(13-11-18)21(28)15-26-17-7-5-6-16(14-17)22(23,24)25/h3-9,14,18,26H,2,10-13,15H2,1H3
InChIKeyZNYDEVWJGHPNOY-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.59
Rot. Bonds7

About 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone

1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone (PubChem CID 56552560) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
PubChem CID56552560
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
SMILESCCOc1ccccc1OC1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N2O3/c1-2-29-19-8-3-4-9-20(19)30-18-10-12-27(13-11-18)21(28)15-26-17-7-5-6-16(14-17)22(23,24)25/h3-9,14,18,26H,2,10-13,15H2,1H3
InChIKeyZNYDEVWJGHPNOY-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546555
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
2-anilino-1-[4-[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 58039339
4-phenyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]butan-1-one
CID 56551539
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
(2R)-2-ethoxy-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]butan-1-one
CID 94669739
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131
3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 47532762
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552881

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone (CID 56552560) is 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone is CCOc1ccccc1OC1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone?
The InChIKey is ZNYDEVWJGHPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-2-29-19-8-3-4-9-20(19)30-18-10-12-27(13-11-18)21(28)15-26-17-7-5-6-16(14-17)22(23,24)25/h3-9,14,18,26H,2,10-13,15H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone?
1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone has a molecular weight of 422.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenoxy)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 56552560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).