4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione

C9H11N3O4 — CID 83193614

IUPAC4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CC(C(=O)N2CC(=O)NC(=O)C2)CN1
InChIInChI=1S/C9H11N3O4/c13-6-1-5(2-10-6)9(16)12-3-7(14)11-8(15)4-12/h5H,1-4H2,(H,10,13)(H,11,14,15)
InChIKeyYMJUMQGZKVMFBP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-2.39
Rot. Bonds1

About 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione

4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione (PubChem CID 83193614) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
PubChem CID83193614
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
SMILESO=C1CC(C(=O)N2CC(=O)NC(=O)C2)CN1
InChIInChI=1S/C9H11N3O4/c13-6-1-5(2-10-6)9(16)12-3-7(14)11-8(15)4-12/h5H,1-4H2,(H,10,13)(H,11,14,15)
InChIKeyYMJUMQGZKVMFBP-UHFFFAOYSA-N
XLogP-2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-2.39
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-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
CID 79079586
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
CID 66082955
4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 78957612
1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 81456758
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 66085474
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78983107
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78983335
4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81478905

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione (CID 83193614) is 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione is O=C1CC(C(=O)N2CC(=O)NC(=O)C2)CN1.
What is the InChIKey of 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione?
The InChIKey is YMJUMQGZKVMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-6-1-5(2-10-6)9(16)12-3-7(14)11-8(15)4-12/h5H,1-4H2,(H,10,13)(H,11,14,15).
What are the key properties of 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione?
4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione has a molecular weight of 225.20 g/mol, XLogP of -2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 83193614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).