N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-4-(piperidin-3-yl)benzamide

• ChemBase ID: 722541
• Molecular Formular: C23H29FN2O2
• Molecular Mass: 384.4869632
• Monoisotopic Mass: 384.2213064
• SMILES: C(=O)(N(Cc1ccc(F)cc1)CCCOC)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: COCCCN(C(=O)c1ccc(cc1)C1CCCNC1)Cc1ccc(cc1)F
• InChI: InChI=1S/C23H29FN2O2/c1-28-15-3-14-26(17-18-5-11-22(24)12-6-18)23(27)20-9-7-19(8-10-20)21-4-2-13-25-16-21/h5-12,21,25H,2-4,13-17H2,1H3
• InChIKey: CTEGNDYVVYFLHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-4-(piperidin-3-yl)benzamide
• Synonyms: N-(4-fluorobenzyl)-N-(3-methoxypropyl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11610395
• LogD (pH = 7.4): 0.8284569
• Log P: 3.3344162
• Molar Refractivity: 111.0117 cm^3
• Polarizability: 42.225864 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.82
• LOG S: -4.41
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8