3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione

C12H19N3O4 — CID 66069002

IUPAC3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-2-9-12(18)15(10(16)7-13-9)8-11(17)14-3-5-19-6-4-14/h9,13H,2-8H2,1H3
InChIKeyVJIUZSYHQBMIHN-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.42
Rot. Bonds3

About 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione

3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione (PubChem CID 66069002) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione
PubChem CID66069002
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione
SMILESCCC1NCC(=O)N(CC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-2-9-12(18)15(10(16)7-13-9)8-11(17)14-3-5-19-6-4-14/h9,13H,2-8H2,1H3
InChIKeyVJIUZSYHQBMIHN-UHFFFAOYSA-N
XLogP-1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione (CID 66069002) is 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione is CCC1NCC(=O)N(CC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione?
The InChIKey is VJIUZSYHQBMIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-9-12(18)15(10(16)7-13-9)8-11(17)14-3-5-19-6-4-14/h9,13H,2-8H2,1H3.
What are the key properties of 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione?
3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione has a molecular weight of 269.30 g/mol, XLogP of -1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)piperazine-2,6-dione is sourced from PubChem (CID 66069002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).