ethyl 3-methoxy-4-oxopiperidine-1-carboxylate

C9H15NO4 — CID 2724451

IUPACethyl 3-methoxy-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OC)C1
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3
InChIKeyWDPDIPXYVCLBCI-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.43
Rot. Bonds2

About ethyl 3-methoxy-4-oxopiperidine-1-carboxylate

ethyl 3-methoxy-4-oxopiperidine-1-carboxylate (PubChem CID 2724451) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 3-methoxy-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-4-oxopiperidine-1-carboxylate
PubChem CID2724451
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 3-methoxy-4-oxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=O)C(OC)C1
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3
InChIKeyWDPDIPXYVCLBCI-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-4-oxopiperidine-1-carboxylate?
The IUPAC name of ethyl 3-methoxy-4-oxopiperidine-1-carboxylate (CID 2724451) is ethyl 3-methoxy-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-4-oxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-methoxy-4-oxopiperidine-1-carboxylate is CCOC(=O)N1CCC(=O)C(OC)C1.
What is the InChIKey of ethyl 3-methoxy-4-oxopiperidine-1-carboxylate?
The InChIKey is WDPDIPXYVCLBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 3-methoxy-4-oxopiperidine-1-carboxylate?
ethyl 3-methoxy-4-oxopiperidine-1-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 2724451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).