CAS 3939-01-3|methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride|methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride|Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride|meth...

General Information

Structure

Molecular Formula

C₁₄H₁₈ClNO₃

Molecular Mass

283.75062

Exact Mass

283.09752112

Charge

InChI

InChI=1S/C14H17NO3.ClH/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H

InChIKey

BRADBAOVPACOQQ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1CN(CCC1=O)Cc1ccccc1.Cl

Isomeric Smiles

N1(CC(C(=O)CC1)C(=O)OC)Cc1ccccc1.Cl

Calculated Properties

JChem

Acid pKa

11.005441

H Acceptors

H Donor

LogD (pH = 5.5)

0.95834565

LogD (pH = 7.4)

1.7480068

Log P

1.7781788

Molar Refractivity

68.1369

Polarizability

26.694532

Polar Surface Area

46.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

IUPAC name

methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

Synonyms

Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloridemethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride1-苄基-3-甲氧羰基-4-哌啶酮盐酸盐1-苄基-4-氧-3-哌啶羧酸甲酯盐酸盐1-Benzyl-3-carbomethoxy-4-piperidone hydrochlorideMethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride1-Benzyl-4-oxopiperidine-3-carboxylic acid methyl ester hydrochlorideMethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride甲基-1-苄基-4-氧代哌啶-3-甲酸甲酯盐酸盐1-Benzyl-3-methoxycarbonyl-4-piperidone hydrochloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

PubChem CID