N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H24F3N3O3 — CID 55709132

IUPACN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)21(30)17-7-5-16(6-8-17)14-26-20(29)15-31-19-4-2-3-18(13-19)22(23,24)25/h2-8,13H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyAIRCBKPYWYWGJM-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.79
Rot. Bonds6

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

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55709132) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID55709132
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)21(30)17-7-5-16(6-8-17)14-26-20(29)15-31-19-4-2-3-18(13-19)22(23,24)25/h2-8,13H,9-12,14-15H2,1H3,(H,26,29)
InChIKeyAIRCBKPYWYWGJM-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55780106
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
[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
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 55708985
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
N-ethyl-2-[4-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoyl]piperazin-1-yl]acetamide
CID 55567073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 55709132) is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is CN1CCN(C(=O)c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is AIRCBKPYWYWGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-27-9-11-28(12-10-27)21(30)17-7-5-16(6-8-17)14-26-20(29)15-31-19-4-2-3-18(13-19)22(23,24)25/h2-8,13H,9-12,14-15H2,1H3,(H,26,29).
What are the key properties of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 435.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55709132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).