N-(3-ethoxypropyl)-4-(piperidin-3-yl)benzamide

• ChemBase ID: 410225
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: C(=O)(c1ccc(cc1)C1CNCCC1)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)c1ccc(cc1)C1CCCNC1
• InChI: InChI=1S/C17H26N2O2/c1-2-21-12-4-11-19-17(20)15-8-6-14(7-9-15)16-5-3-10-18-13-16/h6-9,16,18H,2-5,10-13H2,1H3,(H,19,20)
• InChIKey: YENAAKKGAZPNBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-(3-ethoxypropyl)-4-(piperidin-3-yl)benzamide
• Synonyms: N-(3-ethoxypropyl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.137217
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6180133
• LogD (pH = 7.4): -0.90672
• Log P: 1.600373
• Molar Refractivity: 86.0346 cm^3
• Polarizability: 32.984734 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -2.98
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7