2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone

C23H27F3N2O5 — CID 55772411

IUPAC2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H27F3N2O5/c1-30-19-9-4-16(21(31-2)22(19)32-3)14-27-10-12-28(13-11-27)20(29)15-33-18-7-5-17(6-8-18)23(24,25)26/h4-9H,10-15H2,1-3H3
InChIKeyPMXOINMKKBNAJL-UHFFFAOYSA-N
MW468.47 g/mol
LogP3.45
Rot. Bonds8

About 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone

2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 55772411) has the molecular formula C23H27F3N2O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID55772411
Molecular FormulaC23H27F3N2O5
Molecular Weight468.47 g/mol
Exact Mass468.19
IUPAC Name2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H27F3N2O5/c1-30-19-9-4-16(21(31-2)22(19)32-3)14-27-10-12-28(13-11-27)20(29)15-33-18-7-5-17(6-8-18)23(24,25)26/h4-9H,10-15H2,1-3H3
InChIKeyPMXOINMKKBNAJL-UHFFFAOYSA-N
XLogP3.45
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55416242
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
4-[[4-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 46488101
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
4-(trifluoromethyl)-N-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857329
N-(4-methoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 24745617
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17385092
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154886124
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 55772411) is 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccc(CN2CCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is PMXOINMKKBNAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O5/c1-30-19-9-4-16(21(31-2)22(19)32-3)14-27-10-12-28(13-11-27)20(29)15-33-18-7-5-17(6-8-18)23(24,25)26/h4-9H,10-15H2,1-3H3.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 468.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55772411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).