3-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-N,N-dimethylpiperidine-1-carboxamide

• ChemBase ID: 375176
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: C(=O)(N1CC(C(=O)N2CCC3(c4c(CC3)cccc4)CC2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)N1CCC2(CC1)CCc1c2cccc1
• InChI: InChI=1S/C22H31N3O2/c1-23(2)21(27)25-13-5-7-18(16-25)20(26)24-14-11-22(12-15-24)10-9-17-6-3-4-8-19(17)22/h3-4,6,8,18H,5,7,9-16H2,1-2H3
• InChIKey: LAAJJMOYEOAONM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-N,N-dimethylpiperidine-1-carboxamide
• IUPAC Traditional name: 3-({2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-N,N-dimethylpiperidine-1-carboxamide
• Synonyms: 3-(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-N,N-dimethylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.021229
• LogD (pH = 7.4): 2.0212297
• Log P: 2.0212297
• Molar Refractivity: 107.0726 cm^3
• Polarizability: 41.079662 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.46
• LOG S: -4.85
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 1