tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate

C15H27NO4 — CID 106454396

IUPACtert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate
SMILESCCCOCCC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C15H27NO4/c1-5-9-19-10-7-12-11-16(8-6-13(12)17)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyAGSRFUOFKYAXFY-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate

tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate (PubChem CID 106454396) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate
PubChem CID106454396
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate
SMILESCCCOCCC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C15H27NO4/c1-5-9-19-10-7-12-11-16(8-6-13(12)17)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyAGSRFUOFKYAXFY-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate (CID 106454396) is tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate is CCCOCCC1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate?
The InChIKey is AGSRFUOFKYAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-5-9-19-10-7-12-11-16(8-6-13(12)17)14(18)20-15(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate?
tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 106454396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).