3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione

C20H27N3O5 — CID 3133086

IUPAC3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)N2CCCCC2)C1=O
InChIInChI=1S/C20H27N3O5/c1-20(2)18(26)23(19(27)21-20)12-14(24)13-28-16-9-5-4-8-15(16)17(25)22-10-6-3-7-11-22/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,21,27)
InChIKeyYODASICRZKRULF-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.38
Rot. Bonds6

About 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 3133086) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID3133086
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)N2CCCCC2)C1=O
InChIInChI=1S/C20H27N3O5/c1-20(2)18(26)23(19(27)21-20)12-14(24)13-28-16-9-5-4-8-15(16)17(25)22-10-6-3-7-11-22/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,21,27)
InChIKeyYODASICRZKRULF-UHFFFAOYSA-N
XLogP1.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 3133086) is 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)N2CCCCC2)C1=O.
What is the InChIKey of 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YODASICRZKRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-20(2)18(26)23(19(27)21-20)12-14(24)13-28-16-9-5-4-8-15(16)17(25)22-10-6-3-7-11-22/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,21,27).
What are the key properties of 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 389.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3133086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).