diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate

C11H17NO5 — CID 92950874

IUPACdiethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCN(C(=O)OCC)CC1=O
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)8-5-6-12(7-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZYDLREJETGYCGW-MRVPVSSYSA-N
MW243.26 g/mol
LogP0.60
Rot. Bonds3

About diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate

diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate (PubChem CID 92950874) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namediethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
PubChem CID92950874
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namediethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCN(C(=O)OCC)CC1=O
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)8-5-6-12(7-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZYDLREJETGYCGW-MRVPVSSYSA-N
XLogP0.60
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.60
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

ethyl 1-acetyl-3-oxopiperidine-4-carboxylate;hydrochloride
CID 133056682
ethyl 1-carbonochloridoyl-3-oxopiperidine-4-carboxylate;hydrochloride
CID 133060225
1-O-tert-butyl 4-O-ethyl 3-oxoazepane-1,4-dicarboxylate
CID 57479910
ethyl 4-bromo-3-oxopiperidine-1-carboxylate
CID 117273087
ethyl 1-[2-(4-bromophenyl)acetyl]-3-oxopiperidine-4-carboxylate
CID 112533688
ethyl 1-[2-(4-methylphenoxy)acetyl]-3-oxopiperidine-4-carboxylate
CID 84582093
tert-butyl 4-(2-ethoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 138110908
1-O-tert-butyl 4-O-ethyl 5-oxoazocane-1,4-dicarboxylate
CID 68939776
ethyl 1-[3-(4-ethoxyphenyl)propanoyl]-3-oxopiperidine-4-carboxylate
CID 112533708
ethyl 3-oxo-1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 84579394
ethyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-3-oxopiperidine-4-carboxylate
CID 112533706
1-O-benzyl 4-O-methyl 3-oxopiperidine-1,4-dicarboxylate
CID 133055769

Frequently Asked Questions

What is the IUPAC name of diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate?
The IUPAC name of diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate (CID 92950874) is diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate.
What is the SMILES notation for diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate?
The canonical SMILES for diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate is CCOC(=O)[C@@H]1CCN(C(=O)OCC)CC1=O.
What is the InChIKey of diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate?
The InChIKey is ZYDLREJETGYCGW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)8-5-6-12(7-9(8)13)11(15)17-4-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate?
diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate is sourced from PubChem (CID 92950874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).