(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone

C25H23F3N2O5 — CID 55904315

IUPAC(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)c(OC)c1
InChIInChI=1S/C25H23F3N2O5/c1-33-18-6-7-19(22(15-18)34-2)23(31)29-10-12-30(13-11-29)24(32)21-9-8-20(35-21)16-4-3-5-17(14-16)25(26,27)28/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNXNKVOWQDMDLMU-UHFFFAOYSA-N
MW488.46 g/mol
LogP4.58
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 55904315) has the molecular formula C25H23F3N2O5 and a molecular weight of 488.46 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone
PubChem CID55904315
Molecular FormulaC25H23F3N2O5
Molecular Weight488.46 g/mol
Exact Mass488.16
IUPAC Name(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)c(OC)c1
InChIInChI=1S/C25H23F3N2O5/c1-33-18-6-7-19(22(15-18)34-2)23(31)29-10-12-30(13-11-29)24(32)21-9-8-20(35-21)16-4-3-5-17(14-16)25(26,27)28/h3-9,14-15H,10-13H2,1-2H3
InChIKeyNXNKVOWQDMDLMU-UHFFFAOYSA-N
XLogP4.58
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methylsulfonylethyl)piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 56534055
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 24677649
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 17491081
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]-1,4-diazepan-5-one
CID 71936245
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 39979245
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
(E)-but-2-enedioic acid;(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 158852236
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone (CID 55904315) is (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is NXNKVOWQDMDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5/c1-33-18-6-7-19(22(15-18)34-2)23(31)29-10-12-30(13-11-29)24(32)21-9-8-20(35-21)16-4-3-5-17(14-16)25(26,27)28/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 488.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55904315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).