2-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4-dimethyl-1H-indole

• ChemBase ID: 703703
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: c1(n(c2c(c1)c(ccc2)C)C)C(=O)N1C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1cc2c(n1C)cccc2C
• InChI: InChI=1S/C20H28N2O2/c1-15-8-6-11-18-17(15)14-19(21(18)2)20(23)22-12-5-4-9-16(22)10-7-13-24-3/h6,8,11,14,16H,4-5,7,9-10,12-13H2,1-3H3
• InChIKey: YFEUKXLEOPBFLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4-dimethyl-1H-indole
• IUPAC Traditional name: 2-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1,4-dimethylindole
• Synonyms: 2-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1,4-dimethyl-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.467579
• LogD (pH = 7.4): 3.467579
• Log P: 3.467579
• Molar Refractivity: 98.1974 cm^3
• Polarizability: 38.44726 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: 2.21
• LOG S: -3.48
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5