[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate

C23H25F3N2O4 — CID 11408325

IUPAC[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-27-21(29)15-32-22(30)28-12-10-16(11-13-28)14-31-20-8-4-18(5-9-20)17-2-6-19(7-3-17)23(24,25)26/h2-9,16H,10-15H2,1H3,(H,27,29)
InChIKeyLGRQWELHKSWQKE-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.35
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate

[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 11408325) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
PubChem CID11408325
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-27-21(29)15-32-22(30)28-12-10-16(11-13-28)14-31-20-8-4-18(5-9-20)17-2-6-19(7-3-17)23(24,25)26/h2-9,16H,10-15H2,1H3,(H,27,29)
InChIKeyLGRQWELHKSWQKE-UHFFFAOYSA-N
XLogP4.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate 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-(1-methylpiperidin-4-yl)-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
CID 2971269
N-{1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidin-4-yl}-acetamide
CID 18678194
1-[2-(4-Benzyl-phenoxy)-ethyl]-piperidine-4-carboxylic acid methylamide
CID 18678345
2-(Naphthalen-2-yloxy)-1-(piperazin-1-yl)ethanone 2,2,2-trifluoroacetate
CID 24792335
2-(4-phenylphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405885
2-p-Tolyloxy-N-{2-[4-(2-p-tolyloxy-acetyl)-piperazin-1-yl]-ethyl}-acetamide
CID 650311
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2434181
2-[4-(4-cyanophenyl)phenoxy]-N-phenethyl-acetamide
CID 2537079
N-ethyl-2-(4-phenylphenoxy)acetamide
CID 2550541
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide--hydrogen chloride (1/1)
CID 8502055
2-(4-tert-butylphenoxy)-N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}acetamide--hydrogen chloride (1/1)
CID 16015436
Ethyl 4-[3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]piperazine-1-carboxylate
CID 44335407

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate (CID 11408325) is [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate is CNC(=O)COC(=O)N1CCC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is LGRQWELHKSWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-27-21(29)15-32-22(30)28-12-10-16(11-13-28)14-31-20-8-4-18(5-9-20)17-2-6-19(7-3-17)23(24,25)26/h2-9,16H,10-15H2,1H3,(H,27,29).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 450.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11408325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).