5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C16H21N3O2 — CID 56715890

IUPAC5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCNCC2)N1
InChIInChI=1S/C16H21N3O2/c20-14-16(19-15(21)18-14,13-7-10-17-11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,18,19,20,21)
InChIKeyZZQQBMLEXRCFJO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.20
Rot. Bonds4

About 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56715890) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56715890
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCc2ccccc2)(C2CCNCC2)N1
InChIInChI=1S/C16H21N3O2/c20-14-16(19-15(21)18-14,13-7-10-17-11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,18,19,20,21)
InChIKeyZZQQBMLEXRCFJO-UHFFFAOYSA-N
XLogP1.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56715890) is 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1NC(=O)C(CCc2ccccc2)(C2CCNCC2)N1.
What is the InChIKey of 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is ZZQQBMLEXRCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-14-16(19-15(21)18-14,13-7-10-17-11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2,(H2,18,19,20,21).
What are the key properties of 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56715890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).