CAS 850411-14-2|ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate|ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate|4-(3-Ethoxycarbonylp...

General Information

Structure

Molecular Formula

C₂₁H₃₀BNO₅

Molecular Mass

387.2776

Exact Mass

387.22170347

Charge

InChI

InChI=1S/C21H30BNO5/c1-6-26-19(25)16-8-7-13-23(14-16)18(24)15-9-11-17(12-10-15)22-27-20(2,3)21(4,5)28-22/h9-12,16H,6-8,13-14H2,1-5H3

InChIKey

YQADGHATUTVIEA-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(OC(C(O1)(C)C)(C)C)c1ccc(C(=O)N2CC(C(=O)OCC)CCC2)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.615

LogD (pH = 7.4)

3.615

Log P

3.615

Molar Refractivity

102.3305

Polarizability

41.609722

Polar Surface Area

65.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate

IUPAC Traditional name

ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate

Synonyms

4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol esterEthyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate4-[3-(乙氧羰基)哌啶-1-羰基]苯硼酸频哪酯4-(3-Ethoxycarbonyl-1-piperidinylcarbonyl)benzeneboronic acid pinacol ester

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties