Samelisant

Synopsis, Chemistry

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Also known as: Samelisant, 6fzd7vs9ee, 1394808-20-8, Unii-6fzd7vs9ee, Chembl4593911, 4-morpholineacetamide, n-(4-((1-cyclobutyl-4-piperidinyl)oxy)phenyl)-, hydrochloride (1:2)

Molecular Formula

C₂₁H₃₃Cl₂N₃O₃

Molecular Weight

446.4 g/mol

InChI Key

LCPQCTBHZPMVFX-UHFFFAOYSA-N

FDA UNII

6FZD7VS9EE

1 2D Structure

Samelisant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide;dihydrochloride

2.1.2 InChI

InChI=1S/C21H31N3O3.2ClH/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18;;/h4-7,18,20H,1-3,8-16H2,(H,22,25);2*1H

2.1.3 InChI Key

LCPQCTBHZPMVFX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

6FZD7VS9EE

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-2-(morpholin-4-yl)acetamide Dihydrochloride

2. Samelisant

3. Suvn-g3031

2.3.2 Depositor-Supplied Synonyms

1. Samelisant

2. 6fzd7vs9ee

3. 1394808-20-8

4. Unii-6fzd7vs9ee

5. Chembl4593911

6. 4-morpholineacetamide, N-(4-((1-cyclobutyl-4-piperidinyl)oxy)phenyl)-, Hydrochloride (1:2)

7. Schembl12486477

8. Lcpqctbhzpmvfx-uhfffaoysa-n

9. Bdbm50517497

10. Akos040754117

11. Ms-28053

12. Hy-120124

13. Cs-0070018

14. N-[4-(1-cyclobutyl Piperidin-4-yloxy)phenyl]-2-(morpholin-4-yl) Acetamide Dihydrochloride

15. N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide;dihydrochloride

2.4 Create Date

2012-09-10

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₃Cl₂N₃O₃
Molecular Weight	446.4 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54
Heavy Atom Count	29
Formal Charge	0
Complexity	463
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3