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

C11H20N2O3 — CID 79355575

IUPAC3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCCC(C)(C)O)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,16)6-7-12-8-4-5-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3
InChIKeyBBQMVSTWPYCAHG-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.12
Rot. Bonds4

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

3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 79355575) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
PubChem CID79355575
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCCC(C)(C)O)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,16)6-7-12-8-4-5-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3
InChIKeyBBQMVSTWPYCAHG-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione (CID 79355575) is 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCCC(C)(C)O)C1=O.
What is the InChIKey of 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is BBQMVSTWPYCAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,16)6-7-12-8-4-5-9(14)13(3)10(8)15/h8,12,16H,4-7H2,1-3H3.
What are the key properties of 3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione?
3-[(3-hydroxy-3-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-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 79355575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).