2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C17H24F3N3O3 — CID 120813841

IUPAC2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCCOc1ccccc1OCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H24F3N3O3/c1-2-25-13-5-3-4-6-14(13)26-12-16(24)22-11-15(17(18,19)20)23-9-7-21-8-10-23/h3-6,15,21H,2,7-12H2,1H3,(H,22,24)
InChIKeyJBXKEQLMDGNBHS-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.42
Rot. Bonds8

About 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120813841) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120813841
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCCOc1ccccc1OCC(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C17H24F3N3O3/c1-2-25-13-5-3-4-6-14(13)26-12-16(24)22-11-15(17(18,19)20)23-9-7-21-8-10-23/h3-6,15,21H,2,7-12H2,1H3,(H,22,24)
InChIKeyJBXKEQLMDGNBHS-UHFFFAOYSA-N
XLogP1.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813460
3-(2-ethoxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120813028
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813837
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
2-(2-nitrophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811752
2-(2,5-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810955
2-(5-methyl-2-propan-2-ylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811307
2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812152
2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811739
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813757

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120813841) is 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is CCOc1ccccc1OCC(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is JBXKEQLMDGNBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-2-25-13-5-3-4-6-14(13)26-12-16(24)22-11-15(17(18,19)20)23-9-7-21-8-10-23/h3-6,15,21H,2,7-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120813841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).