N-(3-ethylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide

• ChemBase ID: 864912
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: C(=O)(N1C(CCCOC)CCCC1)Nc1cc(ccc1)CC
• Canonical SMILES: COCCCC1CCCCN1C(=O)Nc1cccc(c1)CC
• InChI: InChI=1S/C18H28N2O2/c1-3-15-8-6-9-16(14-15)19-18(21)20-12-5-4-10-17(20)11-7-13-22-2/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3,(H,19,21)
• InChIKey: VJNFHDNEDDZKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-ethylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
• Synonyms: N-(3-ethylphenyl)-2-(3-methoxypropyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.396496
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.723233
• LogD (pH = 7.4): 3.7232325
• Log P: 3.723233
• Molar Refractivity: 91.399 cm^3
• Polarizability: 34.643337 Å^3
• Polar Surface Area: 41.57 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: 3.26
• LOG S: -4.2
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6