1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one

• ChemBase ID: 127620
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: O=C1N(CC2NCCCC2)CCN1c1ccccc1
• Canonical SMILES: O=C1N(CCN1c1ccccc1)CC1CCCCN1
• InChI: InChI=1S/C15H21N3O/c19-15-17(12-13-6-4-5-9-16-13)10-11-18(15)14-7-2-1-3-8-14/h1-3,7-8,13,16H,4-6,9-12H2
• InChIKey: MGPOBHIJMZQPIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one
• IUPAC Traditional name: 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one
• Synonyms: GSK-789,472

Database IDs

• PubChem SID: 162221938
• PubChem CID: 57347571
• Wikipedia Title: GSK-789,472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6244174
• LogD (pH = 7.4): -0.615597
• Log P: 1.5630337
• Molar Refractivity: 75.0746 cm^3
• Polarizability: 29.301714 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true