[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate

C24H28N2O4 — CID 55355067

IUPAC[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
SMILESCC(OC(=O)CCC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-19(30-23(28)13-12-22(27)21-10-6-3-7-11-21)24(29)26-16-14-25(15-17-26)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyTZDPHJAJOHQNNM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.93
Rot. Bonds8

About [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate

[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate (PubChem CID 55355067) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
PubChem CID55355067
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate
SMILESCC(OC(=O)CCC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-19(30-23(28)13-12-22(27)21-10-6-3-7-11-21)24(29)26-16-14-25(15-17-26)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyTZDPHJAJOHQNNM-UHFFFAOYSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate with MolForge

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Related Compounds

[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 26201709
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55475903
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 55476261
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 16569616
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55356523
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-phenylacetate
CID 55526251
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 46544154
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate?
The IUPAC name of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate (CID 55355067) is [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate.
What is the SMILES notation for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate?
The canonical SMILES for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate is CC(OC(=O)CCC(=O)c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate?
The InChIKey is TZDPHJAJOHQNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-19(30-23(28)13-12-22(27)21-10-6-3-7-11-21)24(29)26-16-14-25(15-17-26)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3.
What are the key properties of [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate?
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate has a molecular weight of 408.50 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 55355067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).