1-(2-morpholin-4-ylethyl)piperazine-2,6-dione

C10H17N3O3 — CID 66063624

IUPAC1-(2-morpholin-4-ylethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C10H17N3O3/c14-9-7-11-8-10(15)13(9)2-1-12-3-5-16-6-4-12/h11H,1-8H2
InChIKeyNVPXPZRTGXAIRK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.72
Rot. Bonds3

About 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione

1-(2-morpholin-4-ylethyl)piperazine-2,6-dione (PubChem CID 66063624) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)piperazine-2,6-dione
PubChem CID66063624
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(2-morpholin-4-ylethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C10H17N3O3/c14-9-7-11-8-10(15)13(9)2-1-12-3-5-16-6-4-12/h11H,1-8H2
InChIKeyNVPXPZRTGXAIRK-UHFFFAOYSA-N
XLogP-1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.72
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 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione?
The IUPAC name of 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione (CID 66063624) is 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione is O=C1CNCC(=O)N1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione?
The InChIKey is NVPXPZRTGXAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9-7-11-8-10(15)13(9)2-1-12-3-5-16-6-4-12/h11H,1-8H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione?
1-(2-morpholin-4-ylethyl)piperazine-2,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 66063624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).