CAS 545445-44-1

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Chemistry

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Also known as: 545445-44-1, 5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1h)-pyridinone, 5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one, 3-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydro-1h-pyridin-2-one, 3-morpholino-1-[4-(2-oxo-1-piperidyl)phenyl]-5,6-dihydropyridin-2(1h)-one, Mfcd19440881

Molecular Formula

C₂₀H₂₅N₃O₃

Molecular Weight

355.4 g/mol

InChI Key

SCVWQFDPLBFZAP-UHFFFAOYSA-N

1 2D Structure

CAS 545445-44-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one

2.1.2 InChI

InChI=1S/C20H25N3O3/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21/h4,6-9H,1-3,5,10-15H2

2.1.3 InChI Key

SCVWQFDPLBFZAP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC=C(C3=O)N4CCOCC4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 545445-44-1

2. 5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-2(1h)-pyridinone

3. 5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one

4. 3-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydro-1h-pyridin-2-one

5. 3-morpholino-1-[4-(2-oxo-1-piperidyl)phenyl]-5,6-dihydropyridin-2(1h)-one

6. Mfcd19440881

7. 3-morpholino-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydropyridin-2(1h)-one

8. 5,6-dihydro-3-(4-morpholinyl)-1-(4-(2-oxo-1-piperidinyl)phenyl)-2(1h)-pyridinone

9. Schembl5444324

10. Dtxsid60625157

11. Bcp08521

12. Cs-m1107

13. Akos015998979

14. Zinc100012387

15. 3-morpholino-1-(4-(2-oxopiperidin-1-

16. Ac-26422

17. As-18408

18. Da-16986

19. Sy045772

20. Yl)phenyl)-5,6-dihydropyridin-2(1h)-one

21. Am20090740

22. Ft-0686945

23. F11752

24. A850071

25. 2(1h)-pyridinone, 5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-1-piperidinyl)phenyl]-

26. 3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydropyridin-2(1h)-one

27. 3-morpholin-4-yl-1-[4-(2-oxo-piperidin-1-yl)-phenyl]-5,6-dihydro-1h-pyridin-2-one

28. 3-morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydro Pyridin-2(1h)-one

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₅N₃O₃
Molecular Weight	355.4 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	355.18959167 g/mol
Monoisotopic Mass	355.18959167 g/mol
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	563
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	1