1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione

C11H19NO5 — CID 107849864

IUPAC1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C(CO)(CO)CO)C(=O)C1
InChIInChI=1S/C11H19NO5/c1-10(2)3-8(16)12(9(17)4-10)11(5-13,6-14)7-15/h13-15H,3-7H2,1-2H3
InChIKeyLYABQXKEBWLOJD-UHFFFAOYSA-N
MW245.27 g/mol
LogP-1.12
Rot. Bonds4

About 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 107849864) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID107849864
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C(CO)(CO)CO)C(=O)C1
InChIInChI=1S/C11H19NO5/c1-10(2)3-8(16)12(9(17)4-10)11(5-13,6-14)7-15/h13-15H,3-7H2,1-2H3
InChIKeyLYABQXKEBWLOJD-UHFFFAOYSA-N
XLogP-1.12
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 107849819
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-ethylbutanoic acid
CID 78918795
1-(1-hydroxybutan-2-yl)-4,4-dimethylpiperidine-2,6-dione
CID 62931399
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114008911
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
1-(1-hydroxy-2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 64558407
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
CID 66165467
1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 63311734
1-(1-hydroxy-2-methylbutan-2-yl)azepane-2,7-dione
CID 64558404
(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one
CID 130756852
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902
5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105442163

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione (CID 107849864) is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(C(CO)(CO)CO)C(=O)C1.
What is the InChIKey of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is LYABQXKEBWLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2)3-8(16)12(9(17)4-10)11(5-13,6-14)7-15/h13-15H,3-7H2,1-2H3.
What are the key properties of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione?
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 245.27 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 107849864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).