1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione

C14H25N3O3 — CID 108504048

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-4-15-5-7-16(8-6-15)13(18)14(19)17-9-11(2)20-12(3)10-17/h11-12H,4-10H2,1-3H3
InChIKeyLHEUWXLODBPVHR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.21
Rot. Bonds1

About 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione

1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 108504048) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
PubChem CID108504048
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-4-15-5-7-16(8-6-15)13(18)14(19)17-9-11(2)20-12(3)10-17/h11-12H,4-10H2,1-3H3
InChIKeyLHEUWXLODBPVHR-UHFFFAOYSA-N
XLogP-0.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 108503946
4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504066
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-2-oxoacetamide
CID 108504011
ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
1-(4-ethylpiperazin-1-yl)-3-hydroxypropane-1,2-dione
CID 167020514
(3S,4S)-1-(4-ethylpiperazine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085861
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethane-1,2-dione
CID 66795051
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione (CID 108504048) is 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione is CCN1CCN(C(=O)C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is LHEUWXLODBPVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-15-5-7-16(8-6-15)13(18)14(19)17-9-11(2)20-12(3)10-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione?
1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 283.37 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108504048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).