ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate

C14H22N2O4 — CID 108504195

IUPACethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-9-16(10-6-11)13(18)12(17)15-7-3-4-8-15/h11H,2-10H2,1H3
InChIKeyXFLHUMUNQGKXSX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.41
Rot. Bonds2

About ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate

ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate (PubChem CID 108504195) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
PubChem CID108504195
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-9-16(10-6-11)13(18)12(17)15-7-3-4-8-15/h11H,2-10H2,1H3
InChIKeyXFLHUMUNQGKXSX-UHFFFAOYSA-N
XLogP0.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate (CID 108504195) is ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
The InChIKey is XFLHUMUNQGKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-9-16(10-6-11)13(18)12(17)15-7-3-4-8-15/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate?
ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 108504195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).