N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-6-carboxamide

• ChemBase ID: 589766
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: C(=O)(c1cc2[nH]ccc2cc1)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)[nH]cc2)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H27N3O/c27-23(20-11-10-19-12-13-24-22(19)16-20)25-21-9-5-15-26(17-21)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,16,21,24H,4-5,8-9,14-15,17H2,(H,25,27)
• InChIKey: KMWHFCLEAARUCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-6-carboxamide
• IUPAC Traditional name: N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-indole-6-carboxamide
• Synonyms: N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-indole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.770862
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1936815
• LogD (pH = 7.4): 2.9407265
• Log P: 4.0882363
• Molar Refractivity: 110.3185 cm^3
• Polarizability: 43.48054 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.37
• LOG S: -5.2
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6