4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione

C12H20N2O3 — CID 3040601

IUPAC4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
SMILESCCN1CC(CN2CCCCC2)OC(=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13/h10H,2-9H2,1H3
InChIKeyZURJAMARAGRHAA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.25
Rot. Bonds3

About 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione

4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione (PubChem CID 3040601) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione.

Molecular Properties

Compound Name4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
PubChem CID3040601
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione
SMILESCCN1CC(CN2CCCCC2)OC(=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13/h10H,2-9H2,1H3
InChIKeyZURJAMARAGRHAA-UHFFFAOYSA-N
XLogP0.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione?
The IUPAC name of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione (CID 3040601) is 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione.
What is the SMILES notation for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione?
The canonical SMILES for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione is CCN1CC(CN2CCCCC2)OC(=O)C1=O.
What is the InChIKey of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione?
The InChIKey is ZURJAMARAGRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-14-9-10(17-12(16)11(14)15)8-13-6-4-3-5-7-13/h10H,2-9H2,1H3.
What are the key properties of 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione?
4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione has a molecular weight of 240.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(piperidin-1-ylmethyl)morpholine-2,3-dione is sourced from PubChem (CID 3040601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).