5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione

C10H15NO4 — CID 163250177

IUPAC5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione
SMILESO=C1CC(=O)C(C[C@@H]2COCCO2)CN1
InChIInChI=1S/C10H15NO4/c12-9-4-10(13)11-5-7(9)3-8-6-14-1-2-15-8/h7-8H,1-6H2,(H,11,13)/t7?,8-/m1/s1
InChIKeyPQLIMKPHRIJOGM-BRFYHDHCSA-N
MW213.23 g/mol
LogP-0.50
Rot. Bonds2

About 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione

5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione (PubChem CID 163250177) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione
PubChem CID163250177
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione
SMILESO=C1CC(=O)C(C[C@@H]2COCCO2)CN1
InChIInChI=1S/C10H15NO4/c12-9-4-10(13)11-5-7(9)3-8-6-14-1-2-15-8/h7-8H,1-6H2,(H,11,13)/t7?,8-/m1/s1
InChIKeyPQLIMKPHRIJOGM-BRFYHDHCSA-N
XLogP-0.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(Oxan-4-yl)piperidine-2,4-dione
CID 83818820
5-(1,4-Dioxan-2-ylmethyl)piperidine-2,4-dione
CID 163249877
5-(((S)-1,4-Dioxan-2-yl)methyl)piperidine-2,4-dione
CID 163250074
(5R)-5-(oxan-4-yl)piperidine-2,4-dione
CID 124547162
(5S)-5-(oxan-4-yl)piperidine-2,4-dione
CID 124547163

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione?
The IUPAC name of 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione (CID 163250177) is 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione.
What is the SMILES notation for 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione?
The canonical SMILES for 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione is O=C1CC(=O)C(C[C@@H]2COCCO2)CN1.
What is the InChIKey of 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione?
The InChIKey is PQLIMKPHRIJOGM-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9-4-10(13)11-5-7(9)3-8-6-14-1-2-15-8/h7-8H,1-6H2,(H,11,13)/t7?,8-/m1/s1.
What are the key properties of 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione?
5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione has a molecular weight of 213.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-2,4-dione is sourced from PubChem (CID 163250177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).