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

C15H16N2O4 — CID 66073828

IUPAC4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)6-17(15)13(19)9-3-4-10-7-21-8-11(10)5-9/h3-5H,6-8H2,1-2H3,(H,16,18,20)
InChIKeyOJSLBTSXSAFLJB-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.59
Rot. Bonds1

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

4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66073828) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66073828
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)6-17(15)13(19)9-3-4-10-7-21-8-11(10)5-9/h3-5H,6-8H2,1-2H3,(H,16,18,20)
InChIKeyOJSLBTSXSAFLJB-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.59
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

4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029
4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075589
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-(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
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65463334
3,3-dimethyl-4-(5-methylpyridine-3-carbonyl)piperazine-2,6-dione
CID 66074798
4-(3-chloro-5-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81324047

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66073828) is 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is OJSLBTSXSAFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(2)14(20)16-12(18)6-17(15)13(19)9-3-4-10-7-21-8-11(10)5-9/h3-5H,6-8H2,1-2H3,(H,16,18,20).
What are the key properties of 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66073828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).