1-{2-[1-(1,4-dimethyl-1H-indole-2-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 538304
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(n(c2c(c1)c(ccc2)C)C)C(=O)N1C(CCN2C(=O)CCC2)CCCC1
• Canonical SMILES: O=C1CCCN1CCC1CCCCN1C(=O)c1cc2c(n1C)cccc2C
• InChI: InChI=1S/C22H29N3O2/c1-16-7-5-9-19-18(16)15-20(23(19)2)22(27)25-13-4-3-8-17(25)11-14-24-12-6-10-21(24)26/h5,7,9,15,17H,3-4,6,8,10-14H2,1-2H3
• InChIKey: IFGYJOOGVUEDCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[1-(1,4-dimethyl-1H-indole-2-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[1-(1,4-dimethylindole-2-carbonyl)piperidin-2-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-(2-{1-[(1,4-dimethyl-1H-indol-2-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4697335
• LogD (pH = 7.4): 2.4697335
• Log P: 2.4697335
• Molar Refractivity: 107.6949 cm^3
• Polarizability: 41.90612 Å^3
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.49
• LOG S: -3.15
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 4