N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C21H23F3N2O2 — CID 100757909

IUPACN-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)17-5-4-6-19(13-17)28-15-20(27)25-14-16-7-9-18(10-8-16)26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14-15H2,(H,25,27)
InChIKeyCIDCMYLQHDCOPH-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.39
Rot. Bonds6

About N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100757909) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100757909
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)17-5-4-6-19(13-17)28-15-20(27)25-14-16-7-9-18(10-8-16)26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14-15H2,(H,25,27)
InChIKeyCIDCMYLQHDCOPH-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide 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

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55709132
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 90492162
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 117074401

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100757909) is N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CIDCMYLQHDCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c22-21(23,24)17-5-4-6-19(13-17)28-15-20(27)25-14-16-7-9-18(10-8-16)26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14-15H2,(H,25,27).
What are the key properties of N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 392.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100757909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).