3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione

C13H23N3O3 — CID 650277

IUPAC3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-13(2)11(18)16(12(19)14-13)9-10(17)8-15-6-4-3-5-7-15/h10,17H,3-9H2,1-2H3,(H,14,19)
InChIKeyPQZUVURJXRIBLD-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.16
Rot. Bonds4

About 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 650277) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID650277
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-13(2)11(18)16(12(19)14-13)9-10(17)8-15-6-4-3-5-7-15/h10,17H,3-9H2,1-2H3,(H,14,19)
InChIKeyPQZUVURJXRIBLD-UHFFFAOYSA-N
XLogP0.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione (CID 650277) is 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O.
What is the InChIKey of 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PQZUVURJXRIBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2)11(18)16(12(19)14-13)9-10(17)8-15-6-4-3-5-7-15/h10,17H,3-9H2,1-2H3,(H,14,19).
What are the key properties of 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 269.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-piperidin-1-ylpropyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 650277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).