ethyl 5-methyl-2-oxopiperidine-1-carboxylate

C9H15NO3 — CID 13303318

IUPACethyl 5-methyl-2-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CCC1=O
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)10-6-7(2)4-5-8(10)11/h7H,3-6H2,1-2H3
InChIKeyUIPKMTDTJDWGRN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds1

About ethyl 5-methyl-2-oxopiperidine-1-carboxylate

ethyl 5-methyl-2-oxopiperidine-1-carboxylate (PubChem CID 13303318) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxopiperidine-1-carboxylate
PubChem CID13303318
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 5-methyl-2-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CCC1=O
InChIInChI=1S/C9H15NO3/c1-3-13-9(12)10-6-7(2)4-5-8(10)11/h7H,3-6H2,1-2H3
InChIKeyUIPKMTDTJDWGRN-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-methyl-2-oxopiperidine-1-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 5-methyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxopiperidine-1-carboxylate (CID 13303318) is ethyl 5-methyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxopiperidine-1-carboxylate is CCOC(=O)N1CC(C)CCC1=O.
What is the InChIKey of ethyl 5-methyl-2-oxopiperidine-1-carboxylate?
The InChIKey is UIPKMTDTJDWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(12)10-6-7(2)4-5-8(10)11/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-oxopiperidine-1-carboxylate?
ethyl 5-methyl-2-oxopiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 13303318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).