1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone

C25H32N2O5 — CID 55904195

IUPAC1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3ccc(C(C)C)c(C)c3)CC2)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-17(2)21-8-7-20(14-18(21)3)32-16-24(28)26-10-12-27(13-11-26)25(29)22-9-6-19(30-4)15-23(22)31-5/h6-9,14-15,17H,10-13,16H2,1-5H3
InChIKeyVJLXTDDOYBJDOK-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.50
Rot. Bonds7

About 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone

1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone (PubChem CID 55904195) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
PubChem CID55904195
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)COc3ccc(C(C)C)c(C)c3)CC2)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-17(2)21-8-7-20(14-18(21)3)32-16-24(28)26-10-12-27(13-11-26)25(29)22-9-6-19(30-4)15-23(22)31-5/h6-9,14-15,17H,10-13,16H2,1-5H3
InChIKeyVJLXTDDOYBJDOK-UHFFFAOYSA-N
XLogP3.50
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
2-(4-amino-3-methyl-5-propan-2-ylphenoxy)-1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 127045601
2-(3,4-dimethylphenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108535845
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299600
2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014558
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867807
1-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 108535820

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone (CID 55904195) is 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone is COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(C(C)C)c(C)c3)CC2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
The InChIKey is VJLXTDDOYBJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-17(2)21-8-7-20(14-18(21)3)32-16-24(28)26-10-12-27(13-11-26)25(29)22-9-6-19(30-4)15-23(22)31-5/h6-9,14-15,17H,10-13,16H2,1-5H3.
What are the key properties of 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone?
1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone has a molecular weight of 440.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 55904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).