ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate

C12H23N3O4 — CID 71628424

IUPACethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C12H23N3O4/c1-3-19-12(17)15-7-5-14(6-8-15)11(16)10-13-4-9-18-2/h13H,3-10H2,1-2H3
InChIKeyLMXNDNQIDNSRRU-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.48
Rot. Bonds6

About ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate (PubChem CID 71628424) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
PubChem CID71628424
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C12H23N3O4/c1-3-19-12(17)15-7-5-14(6-8-15)11(16)10-13-4-9-18-2/h13H,3-10H2,1-2H3
InChIKeyLMXNDNQIDNSRRU-UHFFFAOYSA-N
XLogP-0.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 79282689
ethyl 4-[3-(3-methoxypropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108943286
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
ethyl 4-[2-(2-morpholin-4-ylethylamino)acetyl]piperazine-1-carboxylate
CID 108994784
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate (CID 71628424) is ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNCCOC)CC1.
What is the InChIKey of ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is LMXNDNQIDNSRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-3-19-12(17)15-7-5-14(6-8-15)11(16)10-13-4-9-18-2/h13H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71628424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).