1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 829803
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C1(C(=O)N2CCN(C(=O)c3ccc(cc3)OC)CC2)CN(C(=O)C1)CC
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C19H25N3O4/c1-3-20-13-15(12-17(20)23)19(25)22-10-8-21(9-11-22)18(24)14-4-6-16(26-2)7-5-14/h4-7,15H,3,8-13H2,1-2H3
• InChIKey: DGYQRRFOEQZWFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-ethyl-4-{[4-(4-methoxybenzoyl)-1-piperazinyl]carbonyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.20954694
• LogD (pH = 7.4): -0.2095467
• Log P: -0.2095467
• Molar Refractivity: 97.0597 cm^3
• Polarizability: 36.941235 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.01
• LOG S: -3.14
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4