N-(1-cycloheptylpiperidin-3-yl)-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 864363
• Molecular Formular: C22H31N3O
• Molecular Mass: 353.50104
• Monoisotopic Mass: 353.24671263
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C22H31N3O/c26-22(14-17-15-23-21-12-6-5-11-20(17)21)24-18-8-7-13-25(16-18)19-9-3-1-2-4-10-19/h5-6,11-12,15,18-19,23H,1-4,7-10,13-14,16H2,(H,24,26)
• InChIKey: KZTLACAJFKTBIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-(1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-(1H-indol-3-yl)acetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-(1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.72654
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.45989358
• LogD (pH = 7.4): 1.7145299
• Log P: 3.8545377
• Molar Refractivity: 106.0165 cm^3
• Polarizability: 42.637352 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.19
• LOG S: -4.46
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 4