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

C15H17N3O3 — CID 66075589

IUPAC4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H17N3O3/c1-15(2)14(21)17-12(19)8-18(15)13(20)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19,21)
InChIKeyFUXDQFUNOFVFLO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.53
Rot. Bonds1

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

4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66075589) 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)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66075589
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H17N3O3/c1-15(2)14(21)17-12(19)8-18(15)13(20)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19,21)
InChIKeyFUXDQFUNOFVFLO-UHFFFAOYSA-N
XLogP0.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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'}

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Related Compounds

4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073828
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one
CID 63606548
2,3-dihydro-1H-indol-5-yl-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63217542
4-(3-bromo-4-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81472188
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076073
4-(3-chloro-4-iodobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 103209286
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66069532
4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66067103
3,3-dimethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66076495
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81288892
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66075589) is 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is FUXDQFUNOFVFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2)14(21)17-12(19)8-18(15)13(20)10-3-4-11-9(7-10)5-6-16-11/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,19,21).
What are the key properties of 4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 287.32 g/mol, XLogP of 0.53, 1 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)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66075589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).