methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate

C13H25N3O4 — CID 78913615

IUPACmethyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOCCNC(=O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C13H25N3O4/c1-19-10-4-14-12(17)11-16-8-6-15(7-9-16)5-3-13(18)20-2/h3-11H2,1-2H3,(H,14,17)
InChIKeyASJYCOFXKDFIOC-UHFFFAOYSA-N
MW287.36 g/mol
LogP-1.07
Rot. Bonds8

About methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate

methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate (PubChem CID 78913615) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
PubChem CID78913615
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Namemethyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
SMILESCOCCNC(=O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C13H25N3O4/c1-19-10-4-14-12(17)11-16-8-6-15(7-9-16)5-3-13(18)20-2/h3-11H2,1-2H3,(H,14,17)
InChIKeyASJYCOFXKDFIOC-UHFFFAOYSA-N
XLogP-1.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
methyl 4-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]butanoate
CID 30738857
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate (CID 78913615) is methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate is COCCNC(=O)CN1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
The InChIKey is ASJYCOFXKDFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-19-10-4-14-12(17)11-16-8-6-15(7-9-16)5-3-13(18)20-2/h3-11H2,1-2H3,(H,14,17).
What are the key properties of methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate?
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate has a molecular weight of 287.36 g/mol, XLogP of -1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78913615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).