1-methyl-1'-[1-(propan-2-yl)piperidine-3-carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 573035
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: C1(=O)C2(c3c(N1C)cccc3)CCN(C(=O)C1CN(C(C)C)CCC1)CC2
• Canonical SMILES: O=C(C1CCCN(C1)C(C)C)N1CCC2(CC1)c1ccccc1N(C2=O)C
• InChI: InChI=1S/C22H31N3O2/c1-16(2)25-12-6-7-17(15-25)20(26)24-13-10-22(11-14-24)18-8-4-5-9-19(18)23(3)21(22)27/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3
• InChIKey: MOMMOANVAOIUIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1'-[1-(propan-2-yl)piperidine-3-carbonyl]-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-(1-isopropylpiperidine-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-[(1-isopropyl-3-piperidinyl)carbonyl]-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4803289
• LogD (pH = 7.4): -0.24905625
• Log P: 1.9210311
• Molar Refractivity: 107.3121 cm^3
• Polarizability: 41.5332 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -4.45
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2