tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate

C15H25NO3 — CID 164678957

IUPACtert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)C(CCC(C)=O)C1
InChIInChI=1S/C15H25NO3/c1-11-8-9-16(14(18)19-15(3,4)5)13(10-11)7-6-12(2)17/h13H,1,6-10H2,2-5H3
InChIKeyRUUAJRRLUNKLKG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds3

About tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate

tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate (PubChem CID 164678957) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate
PubChem CID164678957
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)C(CCC(C)=O)C1
InChIInChI=1S/C15H25NO3/c1-11-8-9-16(14(18)19-15(3,4)5)13(10-11)7-6-12(2)17/h13H,1,6-10H2,2-5H3
InChIKeyRUUAJRRLUNKLKG-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate (CID 164678957) is tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate is C=C1CCN(C(=O)OC(C)(C)C)C(CCC(C)=O)C1.
What is the InChIKey of tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate?
The InChIKey is RUUAJRRLUNKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-8-9-16(14(18)19-15(3,4)5)13(10-11)7-6-12(2)17/h13H,1,6-10H2,2-5H3.
What are the key properties of tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate?
tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylidene-2-(3-oxobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 164678957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).