1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione

C11H17NO3 — CID 79516815

IUPAC1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione
SMILESO=C1CCN(CCC2CCCO2)C(=O)C1
InChIInChI=1S/C11H17NO3/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h10H,1-8H2
InChIKeyTYOQNIYKZZMHCV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.75
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione

1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione (PubChem CID 79516815) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione
PubChem CID79516815
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione
SMILESO=C1CCN(CCC2CCCO2)C(=O)C1
InChIInChI=1S/C11H17NO3/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h10H,1-8H2
InChIKeyTYOQNIYKZZMHCV-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 65161418
1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
CID 79517754
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249516
1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
CID 130575448
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002969
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
1-butylpiperidine-2,4-dione
CID 79515410
2-[2-(oxolan-2-yl)ethyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80731831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione (CID 79516815) is 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione is O=C1CCN(CCC2CCCO2)C(=O)C1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione?
The InChIKey is TYOQNIYKZZMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-3-5-12(11(14)8-9)6-4-10-2-1-7-15-10/h10H,1-8H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione?
1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione is sourced from PubChem (CID 79516815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).