4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione

C15H17N3O3 — CID 66069532

IUPAC4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H17N3O3/c1-2-12-14(20)17-13(19)8-18(12)15(21)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,19,20)
InChIKeyBKQBBGGHPPRFNK-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.53
Rot. Bonds2

About 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione

4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66069532) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID66069532
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H17N3O3/c1-2-12-14(20)17-13(19)8-18(12)15(21)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,19,20)
InChIKeyBKQBBGGHPPRFNK-UHFFFAOYSA-N
XLogP0.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
3-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)benzonitrile
CID 66067733
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66069280
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075589
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione (CID 66069532) is 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is BKQBBGGHPPRFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-12-14(20)17-13(19)8-18(12)15(21)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,19,20).
What are the key properties of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione?
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).