4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione

C14H17N3O4 — CID 66076073

IUPAC4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)cc1N
InChIInChI=1S/C14H17N3O4/c1-14(2)13(20)16-11(18)7-17(14)12(19)8-4-5-10(21-3)9(15)6-8/h4-6H,7,15H2,1-3H3,(H,16,18,20)
InChIKeyOFPOMUAWFUOBAR-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.15
Rot. Bonds2

About 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66076073) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66076073
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCOc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)cc1N
InChIInChI=1S/C14H17N3O4/c1-14(2)13(20)16-11(18)7-17(14)12(19)8-4-5-10(21-3)9(15)6-8/h4-6H,7,15H2,1-3H3,(H,16,18,20)
InChIKeyOFPOMUAWFUOBAR-UHFFFAOYSA-N
XLogP0.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81288892
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 63596087
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073828
4-(6-aminopyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66067103
4-(3-bromo-4-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81472188
4-(2,3-dihydro-1H-indole-5-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075589
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
4-(3-chloro-4-iodobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 103209286
4-[(3-amino-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075303
3,3-dimethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66076495
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-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione (CID 66076073) is 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione is COc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is OFPOMUAWFUOBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2)13(20)16-11(18)7-17(14)12(19)8-4-5-10(21-3)9(15)6-8/h4-6H,7,15H2,1-3H3,(H,16,18,20).
What are the key properties of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 291.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66076073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).