Methyl 2-[(4-{[(tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]-2-ethylbutanoate

HCID 67232103

Basic information

Standard SMILES
CCC(CC)(CN1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)OC
InChIKey
BPKABWRKQHBVNL-UHFFFAOYSA-N
Molecular formula
C19H36N2O4
Average molar mass
356.5 g/mol

Names & identifiers

Preferred name
Methyl 2-[(4-{[(tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]-2-ethylbutanoate
IUPAC
methyl 2-ethyl-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]butanoate

Names & synonyms

SCHEMBL1970440BPKABWRKQHBVNL-UHFFFAOYSA-NMethyl 2-[(4-{[(tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]-2-ethylbutanoateMethyl 2-[(4{[(tert-butoxycarbonyl)amino]methyl}piperidin-1-yl)methyl]-2-ethylbutanoate

Database identifiers

PubChem CID
67232103

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
67.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
25

Related reactions

3 records

Linked notes

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