1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione

C11H21N3O2 — CID 66075679

IUPAC1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
SMILESCCN(CC)CCN1C(=O)CNC(C)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-13(5-2)6-7-14-10(15)8-12-9(3)11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyGSKBCHPPRBPJHX-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.32
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione

1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione (PubChem CID 66075679) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
PubChem CID66075679
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
SMILESCCN(CC)CCN1C(=O)CNC(C)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-13(5-2)6-7-14-10(15)8-12-9(3)11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyGSKBCHPPRBPJHX-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-ynyl-3-methylpiperazine-2,6-dione
CID 66076454
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 167599335
3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,6-dione
CID 116617523
3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one
CID 83237515
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,6-dione
CID 66074319
N-methyl-2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 66073544
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
3-methyl-1-(oxan-4-ylmethyl)piperazine-2,6-dione
CID 66074717

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione (CID 66075679) is 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione is CCN(CC)CCN1C(=O)CNC(C)C1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione?
The InChIKey is GSKBCHPPRBPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-13(5-2)6-7-14-10(15)8-12-9(3)11(14)16/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione?
1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione has a molecular weight of 227.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66075679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).