ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate

C13H19N3O5 — CID 78911693

IUPACethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H19N3O5/c1-2-21-12(19)9-5-3-4-6-15(9)11(18)8-16-10(17)7-14-13(16)20/h9H,2-8H2,1H3,(H,14,20)
InChIKeyGFSNWGVCCBWZPO-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.52
Rot. Bonds4

About ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate

ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate (PubChem CID 78911693) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
PubChem CID78911693
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Nameethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H19N3O5/c1-2-21-12(19)9-5-3-4-6-15(9)11(18)8-16-10(17)7-14-13(16)20/h9H,2-8H2,1H3,(H,14,20)
InChIKeyGFSNWGVCCBWZPO-UHFFFAOYSA-N
XLogP-0.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl (2R)-1-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]piperidine-2-carboxylate
CID 8653445
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
3-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 127247316
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-(3-piperidin-2-ylpropanoyl)piperidine-2-carboxylate
CID 62210746

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate (CID 78911693) is ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is GFSNWGVCCBWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-21-12(19)9-5-3-4-6-15(9)11(18)8-16-10(17)7-14-13(16)20/h9H,2-8H2,1H3,(H,14,20).
What are the key properties of ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 297.31 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 78911693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).