1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione

C11H19NO3 — CID 79244368

IUPAC1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(C(CO)C(C)C)C(=O)C1
InChIInChI=1S/C11H19NO3/c1-7(2)9(6-13)12-10(14)4-8(3)5-11(12)15/h7-9,13H,4-6H2,1-3H3
InChIKeySVVXGEOQPZKJRK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.79
Rot. Bonds3

About 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione

1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione (PubChem CID 79244368) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
PubChem CID79244368
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(C(CO)C(C)C)C(=O)C1
InChIInChI=1S/C11H19NO3/c1-7(2)9(6-13)12-10(14)4-8(3)5-11(12)15/h7-9,13H,4-6H2,1-3H3
InChIKeySVVXGEOQPZKJRK-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 79245720
2-(1-hydroxy-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 73110572
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251
3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690137
1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 65191994
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
1-[2-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-2,6-dione
CID 114179218
2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
CID 62933969
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-sulfanylpyrrolidin-2-one
CID 168707526
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 79267295

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione (CID 79244368) is 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione is CC1CC(=O)N(C(CO)C(C)C)C(=O)C1.
What is the InChIKey of 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione?
The InChIKey is SVVXGEOQPZKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)9(6-13)12-10(14)4-8(3)5-11(12)15/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione?
1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione has a molecular weight of 213.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79244368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).