4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde

C13H21N3O4 — CID 108504066

IUPAC4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
SMILESCC1CN(C(=O)C(=O)N2CCN(C=O)CC2)CC(C)O1
InChIInChI=1S/C13H21N3O4/c1-10-7-16(8-11(2)20-10)13(19)12(18)15-5-3-14(9-17)4-6-15/h9-11H,3-8H2,1-2H3
InChIKeyZYYWTXGADFZMIA-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.08
Rot. Bonds1

About 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde

4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde (PubChem CID 108504066) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
PubChem CID108504066
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
SMILESCC1CN(C(=O)C(=O)N2CCN(C=O)CC2)CC(C)O1
InChIInChI=1S/C13H21N3O4/c1-10-7-16(8-11(2)20-10)13(19)12(18)15-5-3-14(9-17)4-6-15/h9-11H,3-8H2,1-2H3
InChIKeyZYYWTXGADFZMIA-UHFFFAOYSA-N
XLogP-1.08
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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
1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
CID 108504048
4-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108517141
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-pyrrolidin-1-ylmethanone
CID 103931869
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
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
2-(2,7-dimethyl-1,4-oxazepan-4-yl)-2-oxoacetic acid
CID 164644909
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde (CID 108504066) is 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde is CC1CN(C(=O)C(=O)N2CCN(C=O)CC2)CC(C)O1.
What is the InChIKey of 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
The InChIKey is ZYYWTXGADFZMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-10-7-16(8-11(2)20-10)13(19)12(18)15-5-3-14(9-17)4-6-15/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde?
4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108504066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).