ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate

C13H20N2O4 — CID 753279

IUPACethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H20N2O4/c1-2-19-13(18)10-5-7-14(8-6-10)9-15-11(16)3-4-12(15)17/h10H,2-9H2,1H3
InChIKeyDNZPSIHFNLCTBX-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds4

About ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate (PubChem CID 753279) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate
PubChem CID753279
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H20N2O4/c1-2-19-13(18)10-5-7-14(8-6-10)9-15-11(16)3-4-12(15)17/h10H,2-9H2,1H3
InChIKeyDNZPSIHFNLCTBX-UHFFFAOYSA-N
XLogP0.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
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-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
3-(2-Oxopyrrolidin-1-yl)propyl 1-methylpiperidine-4-carboxylate
CID 57973570
2-(2,5-Dioxopyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 69950591
1-O-butyl 4-O-(2,5-dioxopyrrolidin-1-yl) piperidine-1,4-dicarboxylate
CID 88241669
Ethyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 112725637
Methyl 1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 128038319
Ethyl 1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-4-carboxylate
CID 153750491
Methyl 4-methyl-1-(3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 178147779
Ethyl 1-(2-oxoimidazolidine-1-carbonyl)piperidine-4-carboxylate
CID 1863365
Ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidin-1-ium-4-carboxylate
CID 4247912
Ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-4-carboxylate
CID 8931372

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate (CID 753279) is ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CN2C(=O)CCC2=O)CC1.
What is the InChIKey of ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DNZPSIHFNLCTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-19-13(18)10-5-7-14(8-6-10)9-15-11(16)3-4-12(15)17/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,5-dioxopyrrolidin-1-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 753279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).