1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione

C17H23N3O2 — CID 108944570

IUPAC1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-2-18-9-11-19(12-10-18)16(21)13-17(22)20-8-7-14-5-3-4-6-15(14)20/h3-6H,2,7-13H2,1H3
InChIKeyPOXUZILLROHEEJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.13
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione

1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione (PubChem CID 108944570) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
PubChem CID108944570
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
SMILESCCN1CCN(C(=O)CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-2-18-9-11-19(12-10-18)16(21)13-17(22)20-8-7-14-5-3-4-6-15(14)20/h3-6H,2,7-13H2,1H3
InChIKeyPOXUZILLROHEEJ-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione (CID 108944570) is 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione is CCN1CCN(C(=O)CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
The InChIKey is POXUZILLROHEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-18-9-11-19(12-10-18)16(21)13-17(22)20-8-7-14-5-3-4-6-15(14)20/h3-6H,2,7-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione?
1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione has a molecular weight of 301.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108944570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).