4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione

C10H16N2O3 — CID 63789085

IUPAC4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCC2CCCO2)CC(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-12(7-10(14)11-9)4-3-8-2-1-5-15-8/h8H,1-7H2,(H,11,13,14)
InChIKeyRQYHYNJFWQZIHK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds3

About 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione

4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione (PubChem CID 63789085) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
PubChem CID63789085
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCC2CCCO2)CC(=O)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-12(7-10(14)11-9)4-3-8-2-1-5-15-8/h8H,1-7H2,(H,11,13,14)
InChIKeyRQYHYNJFWQZIHK-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
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-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazine-2,6-dione
CID 66074953
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
3-[2-(oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
3,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943274

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione (CID 63789085) is 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione is O=C1CN(CCC2CCCO2)CC(=O)N1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione?
The InChIKey is RQYHYNJFWQZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-6-12(7-10(14)11-9)4-3-8-2-1-5-15-8/h8H,1-7H2,(H,11,13,14).
What are the key properties of 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione?
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione has a molecular weight of 212.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 63789085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).