[2-(4-Ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid

HCID 89923723
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Basic information

Standard SMILES
CCOC(=O)C1(C)CCN(c2ncc(B(O)O)cn2)CC1
InChIKey
JPFSFPPCUFPQNO-UHFFFAOYSA-N
Molecular formula
C13H20BN3O4
Average molar mass
293.13 g/mol
Monoisotopic mass
293.1546863

Names & identifiers

Preferred name
[2-(4-Ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
IUPAC
[2-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid

Names & synonyms

1515922-46-9(2-(4-(Ethoxycarbonyl)-4-methylpiperidin-1-yl)pyrimidin-5-yl)boronic acid{2-[4-(Ethoxycarbonyl)-4-methylpiperidin-1-yl]pyrimidin-5-yl}boronic acidSCHEMBL15415179JPFSFPPCUFPQNO-UHFFFAOYSA-NDS-020312[2-(4-Ethoxycarbonyl-4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid

Database identifiers

PubChem CID
89923723

Properties

Computed structural properties

Topological polar surface area
95.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
21

Related reactions

1 records
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Compound notes

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