Methyl 1-(5-bromopyrimidin-2-yl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

HCID 66977205
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Basic information

Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncc(Br)cn2)CC1
InChIKey
SIMZEKAJFZJWCP-UHFFFAOYSA-N
Molecular formula
C16H23BrN4O4
Average molar mass
415.28 g/mol

Names & identifiers

Preferred name
Methyl 1-(5-bromopyrimidin-2-yl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate
IUPAC
methyl 1-(5-bromopyrimidin-2-yl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

Names & synonyms

SCHEMBL1282700SIMZEKAJFZJWCP-UHFFFAOYSA-NMethyl 1-(5-bromopyrimidin-2-yl)-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylate

Database identifiers

PubChem CID
66977205

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

1 records
New reaction record

Compound notes

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