diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate

C13H19NO5 — CID 15713246

IUPACdiethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate
SMILESC=C1CC(C(=O)OCC)N(C=O)C(C(=O)OCC)C1
InChIInChI=1S/C13H19NO5/c1-4-18-12(16)10-6-9(3)7-11(14(10)8-15)13(17)19-5-2/h8,10-11H,3-7H2,1-2H3
InChIKeyQJQXGVNUQZUGNO-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.66
Rot. Bonds5

About diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate

diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate (PubChem CID 15713246) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate
PubChem CID15713246
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namediethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate
SMILESC=C1CC(C(=O)OCC)N(C=O)C(C(=O)OCC)C1
InChIInChI=1S/C13H19NO5/c1-4-18-12(16)10-6-9(3)7-11(14(10)8-15)13(17)19-5-2/h8,10-11H,3-7H2,1-2H3
InChIKeyQJQXGVNUQZUGNO-UHFFFAOYSA-N
XLogP0.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate?
The IUPAC name of diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate (CID 15713246) is diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate?
The canonical SMILES for diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate is C=C1CC(C(=O)OCC)N(C=O)C(C(=O)OCC)C1.
What is the InChIKey of diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate?
The InChIKey is QJQXGVNUQZUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-18-12(16)10-6-9(3)7-11(14(10)8-15)13(17)19-5-2/h8,10-11H,3-7H2,1-2H3.
What are the key properties of diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate?
diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-formyl-4-methylidenepiperidine-2,6-dicarboxylate is sourced from PubChem (CID 15713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).