ethyl 3-methyl-6-oxopiperidine-3-carboxylate

C9H15NO3 — CID 19019560

IUPACethyl 3-methyl-6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCC(=O)NC1
InChIInChI=1S/C9H15NO3/c1-3-13-8(12)9(2)5-4-7(11)10-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyAWFGBBVOEIEJFQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.47
Rot. Bonds2

About ethyl 3-methyl-6-oxopiperidine-3-carboxylate

ethyl 3-methyl-6-oxopiperidine-3-carboxylate (PubChem CID 19019560) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 3-methyl-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-oxopiperidine-3-carboxylate
PubChem CID19019560
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 3-methyl-6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCC(=O)NC1
InChIInChI=1S/C9H15NO3/c1-3-13-8(12)9(2)5-4-7(11)10-6-9/h3-6H2,1-2H3,(H,10,11)
InChIKeyAWFGBBVOEIEJFQ-UHFFFAOYSA-N
XLogP0.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-methyl-6-oxopiperidine-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 3-methyl-6-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 3-methyl-6-oxopiperidine-3-carboxylate (CID 19019560) is ethyl 3-methyl-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-oxopiperidine-3-carboxylate is CCOC(=O)C1(C)CCC(=O)NC1.
What is the InChIKey of ethyl 3-methyl-6-oxopiperidine-3-carboxylate?
The InChIKey is AWFGBBVOEIEJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-8(12)9(2)5-4-7(11)10-6-9/h3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl 3-methyl-6-oxopiperidine-3-carboxylate?
ethyl 3-methyl-6-oxopiperidine-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 19019560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).