N-(3,4-dimethylphenyl)-1-(1-methyl-1H-indole-3-carbonyl)piperidin-3-amine

• ChemBase ID: 823263
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c1(C(=O)N2CC(Nc3cc(c(cc3)C)C)CCC2)cn(c2c1cccc2)C
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)N1CCCC(C1)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C23H27N3O/c1-16-10-11-18(13-17(16)2)24-19-7-6-12-26(14-19)23(27)21-15-25(3)22-9-5-4-8-20(21)22/h4-5,8-11,13,15,19,24H,6-7,12,14H2,1-3H3
• InChIKey: IGHGJSNFCFMHKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-1-(1-methyl-1H-indole-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-1-(1-methylindole-3-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-dimethylphenyl)-1-[(1-methyl-1H-indol-3-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.211007
• LogD (pH = 7.4): 4.358338
• Log P: 4.360583
• Molar Refractivity: 112.4894 cm^3
• Polarizability: 42.918938 Å^3
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.59
• LOG S: -6.83
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 3