1'-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 859294
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: [C@H]1([C@@H]2[C@H]1CNC2)C(=O)N1CCC2(C(=O)N(c3c2cccc3)C)CC1
• Canonical SMILES: O=C([C@@H]1[C@@H]2[C@H]1CNC2)N1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C19H23N3O2/c1-21-15-5-3-2-4-14(15)19(18(21)24)6-8-22(9-7-19)17(23)16-12-10-20-11-13(12)16/h2-5,12-13,16,20H,6-11H2,1H3/t12-,13+,16+
• InChIKey: BCGXDSZSCGFJGM-VIKVFOODSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-1-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-[(1R*,5S*,6r)-3-azabicyclo[3.1.0]hex-6-ylcarbonyl]-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.253624
• LogD (pH = 7.4): -3.0856757
• Log P: -0.014224819
• Molar Refractivity: 90.943 cm^3
• Polarizability: 35.28251 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.4
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 1