1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one

C24H24N3O2+ — CID 4219905

IUPAC1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C24H23N3O2/c28-22(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-27-21-11-5-9-19-8-4-10-20(23(19)21)24(27)29/h1-11H,12-17H2/p+1
InChIKeyZGLVGYXLVYLBFA-UHFFFAOYSA-O
MW386.48 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one

1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one (PubChem CID 4219905) has the molecular formula C24H24N3O2+ and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
PubChem CID4219905
Molecular FormulaC24H24N3O2+
Molecular Weight386.48 g/mol
Exact Mass386.19
IUPAC Name1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C24H23N3O2/c28-22(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-27-21-11-5-9-19-8-4-10-20(23(19)21)24(27)29/h1-11H,12-17H2/p+1
InChIKeyZGLVGYXLVYLBFA-UHFFFAOYSA-O
XLogP1.73
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 848359
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]isoindole-1,3-dione chloride
CID 44657834
1-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzo[cd]indol-2-one
CID 7394258
(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
CID 8991325
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
2-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2884139
3-methyl-4-(2-oxobenzo[cd]indol-1-yl)but-2-enoic acid
CID 77005758
2-[(2-oxobenzo[cd]indol-1-yl)methylamino]benzoic acid
CID 4737279
2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600731
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindole-1,3-dione
CID 6922522
1-(4-benzylpiperazin-4-ium-1-yl)-2-quinolin-2-ylsulfanylethanone
CID 7755413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one (CID 4219905) is 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one is O=C(CN1C(=O)c2cccc3cccc1c23)N1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The InChIKey is ZGLVGYXLVYLBFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O2/c28-22(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-27-21-11-5-9-19-8-4-10-20(23(19)21)24(27)29/h1-11H,12-17H2/p+1.
What are the key properties of 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one has a molecular weight of 386.48 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 4219905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).