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

C14H22N2O4 — CID 115281474

IUPACethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-3-4-8-15(11)9-10-16-12(17)6-7-13(16)18/h11H,2-10H2,1H3
InChIKeyGNYFZTISGPFFQY-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.55
Rot. Bonds5

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

ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate (PubChem CID 115281474) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
PubChem CID115281474
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-3-4-8-15(11)9-10-16-12(17)6-7-13(16)18/h11H,2-10H2,1H3
InChIKeyGNYFZTISGPFFQY-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate (CID 115281474) is ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CCN1C(=O)CCC1=O.
What is the InChIKey of ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is GNYFZTISGPFFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-20-14(19)11-5-3-4-8-15(11)9-10-16-12(17)6-7-13(16)18/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate?
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 115281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).