1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione

C14H23NO3 — CID 83028865

IUPAC1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
SMILESCCC1(CC)CC(N2CCC(=O)CC2=O)CCO1
InChIInChI=1S/C14H23NO3/c1-3-14(4-2)10-11(6-8-18-14)15-7-5-12(16)9-13(15)17/h11H,3-10H2,1-2H3
InChIKeyDTXCYGCCWNYODL-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.92
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione

1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione (PubChem CID 83028865) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
PubChem CID83028865
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
SMILESCCC1(CC)CC(N2CCC(=O)CC2=O)CCO1
InChIInChI=1S/C14H23NO3/c1-3-14(4-2)10-11(6-8-18-14)15-7-5-12(16)9-13(15)17/h11H,3-10H2,1-2H3
InChIKeyDTXCYGCCWNYODL-UHFFFAOYSA-N
XLogP1.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.92
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-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83260537
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
CID 83040396
8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83039128
3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83269868
N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione (CID 83028865) is 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione is CCC1(CC)CC(N2CCC(=O)CC2=O)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione?
The InChIKey is DTXCYGCCWNYODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-14(4-2)10-11(6-8-18-14)15-7-5-12(16)9-13(15)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione?
1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione has a molecular weight of 253.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione is sourced from PubChem (CID 83028865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).