2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C18H25F3N4O4 — CID 8693242

IUPAC2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1
InChIInChI=1S/C18H25F3N4O4/c1-28-14-2-4-15(5-3-14)29-11-10-24-6-8-25(9-7-24)12-16(26)23-17(27)22-13-18(19,20)21/h2-5H,6-13H2,1H3,(H2,22,23,26,27)
InChIKeyDAOLGFQCKPPIJX-UHFFFAOYSA-N
MW418.42 g/mol
LogP1.08
Rot. Bonds8

About 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 8693242) has the molecular formula C18H25F3N4O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID8693242
Molecular FormulaC18H25F3N4O4
Molecular Weight418.42 g/mol
Exact Mass418.18
IUPAC Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1
InChIInChI=1S/C18H25F3N4O4/c1-28-14-2-4-15(5-3-14)29-11-10-24-6-8-25(9-7-24)12-16(26)23-17(27)22-13-18(19,20)21/h2-5H,6-13H2,1H3,(H2,22,23,26,27)
InChIKeyDAOLGFQCKPPIJX-UHFFFAOYSA-N
XLogP1.08
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide with MolForge

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Related Compounds

N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9113409
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26551560
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
(2S)-1-[2-(4-methoxyphenoxy)ethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588940
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534609
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 8693242) is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is COc1ccc(OCCN2CCN(CC(=O)NC(=O)NCC(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is DAOLGFQCKPPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O4/c1-28-14-2-4-15(5-3-14)29-11-10-24-6-8-25(9-7-24)12-16(26)23-17(27)22-13-18(19,20)21/h2-5H,6-13H2,1H3,(H2,22,23,26,27).
What are the key properties of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 418.42 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 8693242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).