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

C18H19N3O2 — CID 848359

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
SMILESCN1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C18H19N3O2/c1-19-8-10-20(11-9-19)16(22)12-21-15-7-3-5-13-4-2-6-14(17(13)15)18(21)23/h2-7H,8-12H2,1H3
InChIKeyHJMNFIOHVFURBM-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.57
Rot. Bonds2

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

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one (PubChem CID 848359) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
PubChem CID848359
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
SMILESCN1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C18H19N3O2/c1-19-8-10-20(11-9-19)16(22)12-21-15-7-3-5-13-4-2-6-14(17(13)15)18(21)23/h2-7H,8-12H2,1H3
InChIKeyHJMNFIOHVFURBM-UHFFFAOYSA-N
XLogP1.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 2877226
1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[cd]indol-2-one
CID 4219905
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
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
(4S)-1-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]-4-phenylpyrrolidine-2,3-dione
CID 8991325
2-[2-[4-[2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]piperazin-1-yl]-2-oxoethyl]benzo[de]isoquinoline-1,3-dione
CID 98128693
2-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-2-oxoethyl]benzo[de]isoquinoline-1,3-dione
CID 124727291
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one (CID 848359) is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one is CN1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
The InChIKey is HJMNFIOHVFURBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-19-8-10-20(11-9-19)16(22)12-21-15-7-3-5-13-4-2-6-14(17(13)15)18(21)23/h2-7H,8-12H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one?
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 848359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).