3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione

C15H19N3O2 — CID 84571197

IUPAC3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione
SMILESCN1CCC(N2C(=O)NC(c3ccccc3)C2=O)CC1
InChIInChI=1S/C15H19N3O2/c1-17-9-7-12(8-10-17)18-14(19)13(16-15(18)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20)
InChIKeyXCFZUZQCCCTVKI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione

3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione (PubChem CID 84571197) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione
PubChem CID84571197
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione
SMILESCN1CCC(N2C(=O)NC(c3ccccc3)C2=O)CC1
InChIInChI=1S/C15H19N3O2/c1-17-9-7-12(8-10-17)18-14(19)13(16-15(18)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20)
InChIKeyXCFZUZQCCCTVKI-UHFFFAOYSA-N
XLogP1.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione (CID 84571197) is 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione is CN1CCC(N2C(=O)NC(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is XCFZUZQCCCTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-9-7-12(8-10-17)18-14(19)13(16-15(18)20)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,20).
What are the key properties of 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione?
3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 273.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 84571197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).