3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione

C11H16N2O4 — CID 113462493

IUPAC3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H16N2O4/c1-2-7-10(15)12-9(14)6-13(7)11(16)8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,12,14,15)/t7?,8-/m0/s1
InChIKeyQUXBRAQKKNKJHQ-MQWKRIRWSA-N
MW240.26 g/mol
LogP-0.57
Rot. Bonds2

About 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione

3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione (PubChem CID 113462493) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
PubChem CID113462493
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C11H16N2O4/c1-2-7-10(15)12-9(14)6-13(7)11(16)8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,12,14,15)/t7?,8-/m0/s1
InChIKeyQUXBRAQKKNKJHQ-MQWKRIRWSA-N
XLogP-0.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione (CID 113462493) is 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione?
The InChIKey is QUXBRAQKKNKJHQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-7-10(15)12-9(14)6-13(7)11(16)8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,12,14,15)/t7?,8-/m0/s1.
What are the key properties of 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione?
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione has a molecular weight of 240.26 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione is sourced from PubChem (CID 113462493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).