ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate

C13H21N3O4 — CID 47104651

IUPACethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyRVTBJTRFMNGHIP-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.19
Rot. Bonds4

About ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate

ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate (PubChem CID 47104651) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
PubChem CID47104651
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1
InChIInChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyRVTBJTRFMNGHIP-UHFFFAOYSA-N
XLogP-0.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate (CID 47104651) is ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)N2CCNC2=O)C1.
What is the InChIKey of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
The InChIKey is RVTBJTRFMNGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-20-12(18)10-4-3-6-15(8-10)9-11(17)16-7-5-14-13(16)19/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate?
ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 47104651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).