3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione

C11H20N2O3 — CID 114493300

IUPAC3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
SMILESCCC(C)(O)CNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-11(2,16)7-12-8-5-6-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3
InChIKeySKQOQBDWOFRSLE-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione

3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 114493300) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
PubChem CID114493300
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
SMILESCCC(C)(O)CNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-11(2,16)7-12-8-5-6-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3
InChIKeySKQOQBDWOFRSLE-UHFFFAOYSA-N
XLogP-0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 79355575
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602
4-[(2-hydroxy-2-methylbutyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 65102974
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
CID 106638714
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
CID 83090356
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261283
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
5-[(2-hydroxy-2-methylbutyl)amino]piperidin-2-one
CID 114493142
3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
CID 114941623

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione (CID 114493300) is 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione is CCC(C)(O)CNC1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is SKQOQBDWOFRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-11(2,16)7-12-8-5-6-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3.
What are the key properties of 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 228.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 114493300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).