6-[3-(3-methoxypropyl)piperidine-1-carbonyl]-1-methyl-1H-indole

• ChemBase ID: 451669
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: N1(C(=O)c2cc3n(ccc3cc2)C)CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C19H26N2O2/c1-20-11-9-16-7-8-17(13-18(16)20)19(22)21-10-3-5-15(14-21)6-4-12-23-2/h7-9,11,13,15H,3-6,10,12,14H2,1-2H3
• InChIKey: JXZAMRLZLPWWOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(3-methoxypropyl)piperidine-1-carbonyl]-1-methyl-1H-indole
• IUPAC Traditional name: 6-[3-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylindole
• Synonyms: 6-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-methyl-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9046004
• LogD (pH = 7.4): 2.9046004
• Log P: 2.9046004
• Molar Refractivity: 93.4085 cm^3
• Polarizability: 36.677147 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.95
• LOG S: -3.16
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5