2-ethyl-5-piperazin-1-ylisoindole-1,3-dione

C14H17N3O2 — CID 117006287

IUPAC2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(N3CCNCC3)cc2C1=O
InChIInChI=1S/C14H17N3O2/c1-2-17-13(18)11-4-3-10(9-12(11)14(17)19)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyKINOEVLJMVCTQJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.71
Rot. Bonds2

About 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione

2-ethyl-5-piperazin-1-ylisoindole-1,3-dione (PubChem CID 117006287) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
PubChem CID117006287
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(N3CCNCC3)cc2C1=O
InChIInChI=1S/C14H17N3O2/c1-2-17-13(18)11-4-3-10(9-12(11)14(17)19)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyKINOEVLJMVCTQJ-UHFFFAOYSA-N
XLogP0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-piperazin-1-yl-3H-indol-2-one
CID 117099892
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
5-(1,4-diazepan-1-yl)-2-methyl-3H-isoindol-1-one
CID 69363809
6-piperazin-1-yl-2,3-dihydroisoindol-1-one
CID 130366423
5-ethyl-8-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-6-one
CID 168514850
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
5-piperazin-1-yl-1-propyl-3H-indol-2-one
CID 117099888
5-(1,3-dioxo-5-piperazin-1-ylisoindol-2-yl)-6-oxopiperidine-3-carbaldehyde
CID 174370473
5-(1,4-diazepan-1-yl)-2-(1,3,2-dioxazinan-4-yl)isoindole-1,3-dione;hydrochloride
CID 175900965
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione?
The IUPAC name of 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione (CID 117006287) is 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione.
What is the SMILES notation for 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione?
The canonical SMILES for 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione is CCN1C(=O)c2ccc(N3CCNCC3)cc2C1=O.
What is the InChIKey of 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione?
The InChIKey is KINOEVLJMVCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-17-13(18)11-4-3-10(9-12(11)14(17)19)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione?
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione has a molecular weight of 259.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-piperazin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 117006287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).