3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione

C12H13N3O4 — CID 66069280

IUPAC3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H13N3O4/c1-2-8-11(18)14-10(17)6-15(8)12(19)7-3-4-9(16)13-5-7/h3-5,8H,2,6H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyZWCZURCYZLRGFP-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.75
Rot. Bonds2

About 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione

3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione (PubChem CID 66069280) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
PubChem CID66069280
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H13N3O4/c1-2-8-11(18)14-10(17)6-15(8)12(19)7-3-4-9(16)13-5-7/h3-5,8H,2,6H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyZWCZURCYZLRGFP-UHFFFAOYSA-N
XLogP-0.75
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.75
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-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,6-dichloropyridine-4-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66068737
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66069532
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
3-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)benzonitrile
CID 66067733
4-(2,6-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069654
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione (CID 66069280) is 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione?
The InChIKey is ZWCZURCYZLRGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-2-8-11(18)14-10(17)6-15(8)12(19)7-3-4-9(16)13-5-7/h3-5,8H,2,6H2,1H3,(H,13,16)(H,14,17,18).
What are the key properties of 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione?
3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione has a molecular weight of 263.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66069280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).