N-phenyl-1-(1,3,7-trimethyl-1H-indole-2-carbonyl)piperidin-3-amine

• ChemBase ID: 751196
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c1(n(c2c(c1C)cccc2C)C)C(=O)N1CC(Nc2ccccc2)CCC1
• Canonical SMILES: O=C(c1c(C)c2c(n1C)c(C)ccc2)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C23H27N3O/c1-16-9-7-13-20-17(2)22(25(3)21(16)20)23(27)26-14-8-12-19(15-26)24-18-10-5-4-6-11-18/h4-7,9-11,13,19,24H,8,12,14-15H2,1-3H3
• InChIKey: KVQZCJJZMMYMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-1-(1,3,7-trimethyl-1H-indole-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-phenyl-1-(1,3,7-trimethylindole-2-carbonyl)piperidin-3-amine
• Synonyms: N-phenyl-1-[(1,3,7-trimethyl-1H-indol-2-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.231415
• LogD (pH = 7.4): 4.2799287
• Log P: 4.280584
• Molar Refractivity: 112.3669 cm^3
• Polarizability: 42.92011 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: 1
• H Donor: 1
• Log P: 2.99
• LOG S: -4.39
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 3