N-[3-(1H-indol-1-yl)propyl]-1-methylpiperidine-2-carboxamide

• ChemBase ID: 445855
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: n1(ccc2c1cccc2)CCCNC(=O)C1N(C)CCCC1
• Canonical SMILES: CN1CCCCC1C(=O)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C18H25N3O/c1-20-12-5-4-9-17(20)18(22)19-11-6-13-21-14-10-15-7-2-3-8-16(15)21/h2-3,7-8,10,14,17H,4-6,9,11-13H2,1H3,(H,19,22)
• InChIKey: SLOLPXGMPAFNJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indol-1-yl)propyl]-1-methylpiperidine-2-carboxamide
• IUPAC Traditional name: N-[3-(indol-1-yl)propyl]-1-methylpiperidine-2-carboxamide
• Synonyms: N-[3-(1H-indol-1-yl)propyl]-1-methylpiperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.949886
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.012610701
• LogD (pH = 7.4): 1.752688
• Log P: 2.3313272
• Molar Refractivity: 89.6165 cm^3
• Polarizability: 35.99339 Å^3
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.38
• LOG S: -3.42
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 5