4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate

C10H15NO5 — CID 10561371

IUPAC4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC)CC1=O
InChIInChI=1S/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyPTKLDHADMDDGDN-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.21
Rot. Bonds2

About 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate

4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate (PubChem CID 10561371) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate
PubChem CID10561371
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC)CC1=O
InChIInChI=1S/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3
InChIKeyPTKLDHADMDDGDN-UHFFFAOYSA-N
XLogP0.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-tert-Butyl 4-ethyl 3-oxopiperidine-1,4-dicarboxylate
CID 15852989
Ethyl 1-methyl-3-oxopiperidine-4-carboxylate hydrochloride
CID 129710415
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate
CID 18072004
1-Tert-butyl 4-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003
1,4-Diethyl piperidine-1,4-dicarboxylate
CID 23084679
Isonipecotic acid, n-butoxycarbonyl-, ethyl ester
CID 68328252
Isonipecotic acid, n-butoxycarbonyl-, butyl ester
CID 68735722
Isonipecotic acid, N-ethoxycarbonyl-, butyl ester
CID 91728455
Ethyl 1-(3-ethoxypropanoyl)piperidine-4-carboxylate
CID 2973332

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate (CID 10561371) is 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OC)CC1=O.
What is the InChIKey of 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate?
The InChIKey is PTKLDHADMDDGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-methyl 3-oxopiperidine-1,4-dicarboxylate is sourced from PubChem (CID 10561371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).