Waterstone Pharmaceuticals Inc | Tert-butyl N-[1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate | Related Intermediates | Manufacturers & Suppliers

Tert-butyl N-[1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate

Chemistry, 1 End Use API, 24 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

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Tert-butyl N-[1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate

Also known as: Schembl17781891

Molecular Formula

C₂₃H₂₉N₅O₄

Molecular Weight

439.5 g/mol

InChI Key

VKXJOQVLADBJKD-UHFFFAOYSA-N

1 2D Structure

Tert-butyl N-[1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[1-[3-[(2-cyanophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate

2.1.2 InChI

InChI=1S/C23H29N5O4/c1-23(2,3)32-21(30)25-18-10-7-11-27(15-18)19-12-20(29)26(4)22(31)28(19)14-17-9-6-5-8-16(17)13-24/h5-6,8-9,12,18H,7,10-11,14-15H2,1-4H3,(H,25,30)

2.1.3 InChI Key

VKXJOQVLADBJKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CCCN(C1)C2=CC(=O)N(C(=O)N2CC3=CC=CC=C3C#N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl17781891

2.3 Create Date

2015-03-17

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₉N₅O₄
Molecular Weight	439.5 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	439.22195442 g/mol
Monoisotopic Mass	439.22195442 g/mol
Topological Polar Surface Area	106 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	824
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

(R)-3-aminopiperidine dihydrochloride

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CAS Number

334618-23-4

End Use API

Alogliptin Benzoate

About the Company

Waterstone is an international pharmaceutical company with its main operations in China. The company is ...

Waterstone is an international pharmaceutical company with its main operations in China. The company is focused in discovery, development and commercialization of innovative drugs for the treatment of liver and gastrointestinal diseases. With venture capital investments from internationally well-known firms such as BAR Capital, CID Group, Orbimed, and Acorn Camps, the company has established fully integrated capabilities from R&D, API & Finished Drug Product manufacturing to sales/marketing. The company has a strong management team with cross-border experience and advisors with expertise in drug discovery, regulatory, and GMP manufacturing. On top of the forty marked drugs in China, the company has also built a rich pipeline including Drug Master Files with U.S. FDA , candidates in phase II/III clinical tries with cFDA, and several novel preclinical stage antiviral and oncology candidates

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