N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-2-carboxamide

• ChemBase ID: 499715
• Molecular Formular: C24H29N3O
• Molecular Mass: 375.50656
• Monoisotopic Mass: 375.23106256
• SMILES: c1(C(=O)N(C2CN(CCCc3ccccc3)CCC2)C)[nH]c2c(c1)cccc2
• Canonical SMILES: O=C(N(C1CCCN(C1)CCCc1ccccc1)C)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H29N3O/c1-26(24(28)23-17-20-12-5-6-14-22(20)25-23)21-13-8-16-27(18-21)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,12,14,17,21,25H,7-8,11,13,15-16,18H2,1H3
• InChIKey: GJKKVNBXLBVJHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-2-carboxamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.328496
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1969913
• LogD (pH = 7.4): 2.8982105
• Log P: 4.2319136
• Molar Refractivity: 115.0927 cm^3
• Polarizability: 45.332012 Å^3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.56
• LOG S: -5.3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 6