ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate

C14H22N2O4 — CID 18173872

IUPACethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C14H22N2O4/c1-2-20-13(18)11-4-3-7-16(10-11)14(19)15-8-5-12(17)6-9-15/h11H,2-10H2,1H3
InChIKeyRTWWGLLOHFVAGY-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.05
Rot. Bonds2

About ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate (PubChem CID 18173872) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate
PubChem CID18173872
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C14H22N2O4/c1-2-20-13(18)11-4-3-7-16(10-11)14(19)15-8-5-12(17)6-9-15/h11H,2-10H2,1H3
InChIKeyRTWWGLLOHFVAGY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(4-oxopiperidine-1-carbonyl)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-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate (CID 18173872) is ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N2CCC(=O)CC2)C1.
What is the InChIKey of ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is RTWWGLLOHFVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-20-13(18)11-4-3-7-16(10-11)14(19)15-8-5-12(17)6-9-15/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 18173872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).