2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 128427
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N1CCOCC1
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)CC(=O)N1CCOCC1
• InChI: InChI=1S/C18H25N3O4/c1-24-16-4-2-15(3-5-16)18(23)21-8-6-19(7-9-21)14-17(22)20-10-12-25-13-11-20/h2-5H,6-14H2,1H3
• InChIKey: PSWBKVWMVVCATC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: molracetam
• Synonyms: Molracetam

Database IDs

• CAS Number: 94746-78-8
• PubChem SID: 162222734
• PubChem CID: 779179
• Unique Ingredient Identifier: R47KMF9589
• Wikipedia Title: Molracetam

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4777316
• LogD (pH = 7.4): -0.14582358
• Log P: -0.13942108
• Molar Refractivity: 94.2178 cm^3
• Polarizability: 36.097893 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Unscheduled