N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H25F3N2O2 — CID 133190114

IUPACN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C22H25F3N2O2/c1-16-4-3-11-27(14-16)19-9-7-17(8-10-19)13-26-21(28)15-29-20-6-2-5-18(12-20)22(23,24)25/h2,5-10,12,16H,3-4,11,13-15H2,1H3,(H,26,28)
InChIKeyAGPVFFLCORYQLB-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.64
Rot. Bonds6

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

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 133190114) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID133190114
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCC1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C22H25F3N2O2/c1-16-4-3-11-27(14-16)19-9-7-17(8-10-19)13-26-21(28)15-29-20-6-2-5-18(12-20)22(23,24)25/h2,5-10,12,16H,3-4,11,13-15H2,1H3,(H,26,28)
InChIKeyAGPVFFLCORYQLB-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 125054329
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55709132
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
2-(3-methylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042786
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 133190114) is N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CC1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1.
What is the InChIKey of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AGPVFFLCORYQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-16-4-3-11-27(14-16)19-9-7-17(8-10-19)13-26-21(28)15-29-20-6-2-5-18(12-20)22(23,24)25/h2,5-10,12,16H,3-4,11,13-15H2,1H3,(H,26,28).
What are the key properties of N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 406.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 133190114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).