2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C16H22F3N3O3 — CID 120811739

IUPAC2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O3/c1-24-12-2-4-13(5-3-12)25-11-15(23)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-11H2,1H3,(H,21,23)
InChIKeySRSLWNGDEFSEQY-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.03
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811739) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811739
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O3/c1-24-12-2-4-13(5-3-12)25-11-15(23)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-11H2,1H3,(H,21,23)
InChIKeySRSLWNGDEFSEQY-UHFFFAOYSA-N
XLogP1.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813757
2-(4-propoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812152
2-(3-methylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813457
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813837
2-(3-chlorophenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811277
2-(2,6-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813836
2-(2-ethoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813841
2-(2,5-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810955
2-(2-ethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813460
2-(4-methoxyphenyl)sulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 120811618
2-(5-methyl-2-propan-2-ylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811739) is 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is COc1ccc(OCC(=O)NCC(N2CCNCC2)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is SRSLWNGDEFSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-24-12-2-4-13(5-3-12)25-11-15(23)21-10-14(16(17,18)19)22-8-6-20-7-9-22/h2-5,14,20H,6-11H2,1H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 361.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).