tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate

C15H24FNO3 — CID 71136903

IUPACtert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate
SMILESCCCC(=O)/C(F)=C1/CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24FNO3/c1-5-7-12(18)13(16)11-8-6-9-17(10-11)14(19)20-15(2,3)4/h5-10H2,1-4H3/b13-11+
InChIKeyIMAPTURSANREEL-ACCUITESSA-N
MW285.36 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate

tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate (PubChem CID 71136903) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate
PubChem CID71136903
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Nametert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate
SMILESCCCC(=O)/C(F)=C1/CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H24FNO3/c1-5-7-12(18)13(16)11-8-6-9-17(10-11)14(19)20-15(2,3)4/h5-10H2,1-4H3/b13-11+
InChIKeyIMAPTURSANREEL-ACCUITESSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate (CID 71136903) is tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate is CCCC(=O)/C(F)=C1/CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate?
The InChIKey is IMAPTURSANREEL-ACCUITESSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-5-7-12(18)13(16)11-8-6-9-17(10-11)14(19)20-15(2,3)4/h5-10H2,1-4H3/b13-11+.
What are the key properties of tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate?
tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate has a molecular weight of 285.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3E)-3-(1-fluoro-2-oxopentylidene)piperidine-1-carboxylate is sourced from PubChem (CID 71136903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).