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CAS 916982-10-0

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CHEMISTRY

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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 Formula	C₉H₁₅NO₂
Molecular Weight	169.22 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	169.110278721 g/mol
Monoisotopic Mass	169.110278721 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183
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

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