3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione

C11H18N2O3 — CID 154637496

IUPAC3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione
SMILESCOCCN1CCC(=O)C(=CN(C)C)C1=O
InChIInChI=1S/C11H18N2O3/c1-12(2)8-9-10(14)4-5-13(11(9)15)6-7-16-3/h8H,4-7H2,1-3H3
InChIKeyZEGZJXPYYLFDEW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.12
Rot. Bonds4

About 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione

3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione (PubChem CID 154637496) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione.

Molecular Properties

Compound Name3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione
PubChem CID154637496
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione
SMILESCOCCN1CCC(=O)C(=CN(C)C)C1=O
InChIInChI=1S/C11H18N2O3/c1-12(2)8-9-10(14)4-5-13(11(9)15)6-7-16-3/h8H,4-7H2,1-3H3
InChIKeyZEGZJXPYYLFDEW-UHFFFAOYSA-N
XLogP-0.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione?
The IUPAC name of 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione (CID 154637496) is 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione.
What is the SMILES notation for 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione?
The canonical SMILES for 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione is COCCN1CCC(=O)C(=CN(C)C)C1=O.
What is the InChIKey of 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione?
The InChIKey is ZEGZJXPYYLFDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12(2)8-9-10(14)4-5-13(11(9)15)6-7-16-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione?
3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminomethylidene)-1-(2-methoxyethyl)piperidine-2,4-dione is sourced from PubChem (CID 154637496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).