3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione

C26H23N3O5 — CID 71218348

IUPAC3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccc3c(c2)OC2(CCNCC2)O3)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O5/c30-24-17-28(19-8-11-22-23(16-19)34-26(33-22)12-14-27-15-13-26)25(31)29(24)18-6-9-21(10-7-18)32-20-4-2-1-3-5-20/h1-11,16,27H,12-15,17H2
InChIKeyOJKMLNJQBIKBTM-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.30
Rot. Bonds4

About 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione

3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione (PubChem CID 71218348) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione
PubChem CID71218348
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccc3c(c2)OC2(CCNCC2)O3)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O5/c30-24-17-28(19-8-11-22-23(16-19)34-26(33-22)12-14-27-15-13-26)25(31)29(24)18-6-9-21(10-7-18)32-20-4-2-1-3-5-20/h1-11,16,27H,12-15,17H2
InChIKeyOJKMLNJQBIKBTM-UHFFFAOYSA-N
XLogP4.30
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione (CID 71218348) is 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione is O=C1CN(c2ccc3c(c2)OC2(CCNCC2)O3)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione?
The InChIKey is OJKMLNJQBIKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-24-17-28(19-8-11-22-23(16-19)34-26(33-22)12-14-27-15-13-26)25(31)29(24)18-6-9-21(10-7-18)32-20-4-2-1-3-5-20/h1-11,16,27H,12-15,17H2.
What are the key properties of 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione?
3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione has a molecular weight of 457.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-5-ylimidazolidine-2,4-dione is sourced from PubChem (CID 71218348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).