716361-92-1

Basic information

• Product Name: 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-(3-methoxyphenyl)-, 1,1-dimethylethyl ester
• CAS NO: 716361-92-1
• Molecular Formula: C19H26N2O3
• Molecular Weight: 330.427
• Mol File: 716361-92-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-(3-methoxyphenyl)-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-(3-methoxyphenyl)-, 1,1-dimethylethyl ester(716361-92-1)
• EPA Substance Registry System: 1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-(3-methoxyphenyl)-, 1,1-dimethylethyl ester(716361-92-1)

Safety Data

• Hazardous Substances Data: 716361-92-1(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure that includes a piperidine ring, a cyanomethyl group, a 3-methoxyphenyl group, and a 1,1-dimethylethyl ester group.

Ester

The compound is an ester, meaning it is derived from an organic acid and an alcohol.

Derived from 1,1-dimethylethylamine

The presence of the 1,1-dimethylethyl ester group indicates that the compound is a derivative of 1,1-dimethylethylamine, a tertiary amine.

Further analysis required

Further analysis and testing would be necessary to determine the specific uses and properties of this compound.

Upstream product

• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 2398-37-0 3-methoxyphenyl bromide 
• 878130-32-6 4-(cyano-ethoxycarbonyl-methyl)-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester 
• 193537-11-0 tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)-4-piperidine-1-carboxylate 
• 917220-95-2 4-(carboxy-cyano-methyl)-4-(3-methoxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 716359-53-4 C₃₄H₄₆N₄O₃ 
• 716353-65-0 C₃₆H₄₂N₄O₂ 

Relevant articles and documents

Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile

We recently described (J. Med. Chem. 2008, 51, 6538-6546) a novel class of CCR5 antagonists with strong anti-HIV potency. Herein, we detail SAR converting leads 1 and 2 to druglike molecules. The pivotal structural motif enabling this transition was the secondary sulfonamide substituent. Further finetuning of the substituent pattern in the sulfonamide paved the way to enhancing potency and bioavailability and minimizing hERG inhibition, resulting in discovery of clinical compound 122 (GSK163929).