2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H26F3N3O3 — CID 25495964

IUPAC2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H26F3N3O3/c1-2-20(32-17-8-4-3-5-9-17)22(31)29-14-12-28(13-15-29)16-21(30)27-19-11-7-6-10-18(19)23(24,25)26/h3-11,20H,2,12-16H2,1H3,(H,27,30)/t20-/m0/s1
InChIKeyCQXVAOLRWIZISK-FQEVSTJZSA-N
MW449.47 g/mol
LogP3.65
Rot. Bonds7

About 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 25495964) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID25495964
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H26F3N3O3/c1-2-20(32-17-8-4-3-5-9-17)22(31)29-14-12-28(13-15-29)16-21(30)27-19-11-7-6-10-18(19)23(24,25)26/h3-11,20H,2,12-16H2,1H3,(H,27,30)/t20-/m0/s1
InChIKeyCQXVAOLRWIZISK-FQEVSTJZSA-N
XLogP3.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
2-[4-[2-[4-(trifluoromethoxy)phenoxy]propanoyl]-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3692227
ethyl N-[3-methyl-1-oxo-1-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]butan-2-yl]carbamate
CID 46427267
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547533
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 25495964) is 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CQXVAOLRWIZISK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-2-20(32-17-8-4-3-5-9-17)22(31)29-14-12-28(13-15-29)16-21(30)27-19-11-7-6-10-18(19)23(24,25)26/h3-11,20H,2,12-16H2,1H3,(H,27,30)/t20-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 449.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25495964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).