1-{3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl}-1,2-dihydropyridin-2-one

• ChemBase ID: 314672
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: C(=O)(N1CCN(C(=O)CCn2c(=O)cccc2)CC1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)CCn1ccccc1=O
• InChI: InChI=1S/C20H23N3O4/c1-27-17-7-5-16(6-8-17)20(26)23-14-12-22(13-15-23)19(25)9-11-21-10-3-2-4-18(21)24/h2-8,10H,9,11-15H2,1H3
• InChIKey: AWMIZZGIZBLWMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-{3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl}pyridin-2-one
• Synonyms: 1-{3-[4-(4-methoxybenzoyl)-1-piperazinyl]-3-oxopropyl}-2(1H)-pyridinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36646044
• LogD (pH = 7.4): 0.36646062
• Log P: 0.36646062
• Molar Refractivity: 102.7966 cm^3
• Polarizability: 38.28274 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.16
• LOG S: -3.34
• Polar Surface Area: 71.85 Å^2
• Rotatable Bonds: 5