1-ethyl-4-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 693266
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C1(C(=O)N2CCC(CC2)Oc2ccc(cc2)C)CN(C(=O)C1)CC
• Canonical SMILES: CCN1CC(CC1=O)C(=O)N1CCC(CC1)Oc1ccc(cc1)C
• InChI: InChI=1S/C19H26N2O3/c1-3-20-13-15(12-18(20)22)19(23)21-10-8-17(9-11-21)24-16-6-4-14(2)5-7-16/h4-7,15,17H,3,8-13H2,1-2H3
• InChIKey: VHLPOYBNRODCIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-ethyl-4-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-ethyl-4-{[4-(4-methylphenoxy)-1-piperidinyl]carbonyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1855686
• LogD (pH = 7.4): 1.1855688
• Log P: 1.1855688
• Molar Refractivity: 92.6301 cm^3
• Polarizability: 35.832233 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.13
• LOG S: -3.43
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4