1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione

C27H25N3O4 — CID 15983208

IUPAC1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione
SMILESCN1CCC2(CC1)Oc1ccc(N3CC(=O)N(c4ccc(-c5ccccc5)cc4)C3=O)cc1O2
InChIInChI=1S/C27H25N3O4/c1-28-15-13-27(14-16-28)33-23-12-11-22(17-24(23)34-27)29-18-25(31)30(26(29)32)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
InChIKeyDQOVJWLOLSGEHA-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.52
Rot. Bonds3

About 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione

1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione (PubChem CID 15983208) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione
PubChem CID15983208
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione
SMILESCN1CCC2(CC1)Oc1ccc(N3CC(=O)N(c4ccc(-c5ccccc5)cc4)C3=O)cc1O2
InChIInChI=1S/C27H25N3O4/c1-28-15-13-27(14-16-28)33-23-12-11-22(17-24(23)34-27)29-18-25(31)30(26(29)32)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
InChIKeyDQOVJWLOLSGEHA-UHFFFAOYSA-N
XLogP4.52
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
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 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione (CID 15983208) is 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione is CN1CCC2(CC1)Oc1ccc(N3CC(=O)N(c4ccc(-c5ccccc5)cc4)C3=O)cc1O2.
What is the InChIKey of 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione?
The InChIKey is DQOVJWLOLSGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-28-15-13-27(14-16-28)33-23-12-11-22(17-24(23)34-27)29-18-25(31)30(26(29)32)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione?
1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione has a molecular weight of 455.51 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1'-methylspiro[1,3-benzodioxole-2,4'-piperidine]-5-yl)-3-(4-phenylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15983208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).