1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

C28H23N3O4 — CID 506456

IUPAC1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H23N3O4/c32-25(28(35)30-17-15-29(16-18-30)26(33)20-9-3-1-4-10-20)23-19-31(24-14-8-7-13-22(23)24)27(34)21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKeyVMNGWJVONLROOD-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.50
Rot. Bonds4

About 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 506456) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
PubChem CID506456
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cn(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C28H23N3O4/c32-25(28(35)30-17-15-29(16-18-30)26(33)20-9-3-1-4-10-20)23-19-31(24-14-8-7-13-22(23)24)27(34)21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKeyVMNGWJVONLROOD-UHFFFAOYSA-N
XLogP3.50
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(1-butylindol-3-yl)ethane-1,2-dione
CID 506420
1-(1-benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
benzyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoroindole-1-carboxylate
CID 506469
1-(4-benzoylpiperazin-1-yl)-2-(7-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 506229
1-benzoyl-N,N-dibenzylindole-3-carboxamide
CID 164674380
1-[1-[4-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
1-(4-benzoylpiperazin-1-yl)-2-(5,6-dichloro-1H-indol-3-yl)ethane-1,2-dione
CID 506235
1-(4-benzoylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155519442
1-[1-[6-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54580817
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (CID 506456) is 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cn(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is VMNGWJVONLROOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c32-25(28(35)30-17-15-29(16-18-30)26(33)20-9-3-1-4-10-20)23-19-31(24-14-8-7-13-22(23)24)27(34)21-11-5-2-6-12-21/h1-14,19H,15-18H2.
What are the key properties of 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 465.51 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 506456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).