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Also known as: 916982-10-0, 4-isobutylpiperidine-2,6-dione, 2,6-piperidinedione, 4-(2-methylpropyl)-, 3-isobutylglutarimid, 4-(2-methylpropyl)piperidine-2,6-dione (3-isobutylglutarimide), 4-isobutyl-piperidine-2,6-dione
Molecular Formula
C9H15NO2
Molecular Weight
169.22  g/mol
InChI Key
FNAQPQLVCOZGRH-UHFFFAOYSA-N

CAS 916982-10-0
1 2D Structure

CAS 916982-10-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-methylpropyl)piperidine-2,6-dione
2.1.2 InChI
InChI=1S/C9H15NO2/c1-6(2)3-7-4-8(11)10-9(12)5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
2.1.3 InChI Key
FNAQPQLVCOZGRH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CC1CC(=O)NC(=O)C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 916982-10-0

2. 4-isobutylpiperidine-2,6-dione

3. 2,6-piperidinedione, 4-(2-methylpropyl)-

4. 3-isobutylglutarimid

5. 4-(2-methylpropyl)piperidine-2,6-dione (3-isobutylglutarimide)

6. 4-isobutyl-piperidine-2,6-dione

7. 3-isobutylglutarimide

8. Pregabalin Impurity 9

9. 3-isobutyl Glutarimide

10. Schembl2019434

11. Mfcd18277013

12. Zinc34804554

13. Akos012458062

14. Sb41085

15. As-18964

16. Db-088524

17. E79247

18. A917355

19. Z1695922826

2.3 Create Date
2007-03-07
3 Chemical and Physical Properties
Molecular Weight 169.22 g/mol
Molecular Formula C9H15NO2
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass169.110278721 g/mol
Monoisotopic Mass169.110278721 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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