tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate

C15H25NO4 — CID 56975543

IUPACtert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate
SMILESCOC(=O)C=CCN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(18)12-7-10-16(11-8-12)9-5-6-13(17)19-4/h5-6,12H,7-11H2,1-4H3
InChIKeyCBPLOBQIGDZLGY-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate

tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate (PubChem CID 56975543) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate
PubChem CID56975543
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate
SMILESCOC(=O)C=CCN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(18)12-7-10-16(11-8-12)9-5-6-13(17)19-4/h5-6,12H,7-11H2,1-4H3
InChIKeyCBPLOBQIGDZLGY-UHFFFAOYSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate (CID 56975543) is tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate is COC(=O)C=CCN1CCC(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate?
The InChIKey is CBPLOBQIGDZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(18)12-7-10-16(11-8-12)9-5-6-13(17)19-4/h5-6,12H,7-11H2,1-4H3.
What are the key properties of tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate?
tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-methoxy-4-oxobut-2-enyl)piperidine-4-carboxylate is sourced from PubChem (CID 56975543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).