1-{2-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 564597
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: c1(C(=O)N2C(CCN3C(=O)CCC3)CCCC2)cc2c(cc1OC)CCC2
• Canonical SMILES: COc1cc2CCCc2cc1C(=O)N1CCCCC1CCN1CCCC1=O
• InChI: InChI=1S/C22H30N2O3/c1-27-20-15-17-7-4-6-16(17)14-19(20)22(26)24-12-3-2-8-18(24)10-13-23-11-5-9-21(23)25/h14-15,18H,2-13H2,1H3
• InChIKey: VDXCJCNEMLNJHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5638871
• LogD (pH = 7.4): 2.5638874
• Log P: 2.5638874
• Molar Refractivity: 106.1374 cm^3
• Polarizability: 40.33166 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.47
• LOG S: -4.01
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5