N-methyl-N-[3-(4-methylphenoxy)propyl]-3-(piperidin-3-yl)benzamide

• ChemBase ID: 433775
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: C(=O)(c1cc(C2CNCCC2)ccc1)N(CCCOc1ccc(cc1)C)C
• Canonical SMILES: Cc1ccc(cc1)OCCCN(C(=O)c1cccc(c1)C1CCCNC1)C
• InChI: InChI=1S/C23H30N2O2/c1-18-9-11-22(12-10-18)27-15-5-14-25(2)23(26)20-7-3-6-19(16-20)21-8-4-13-24-17-21/h3,6-7,9-12,16,21,24H,4-5,8,13-15,17H2,1-2H3
• InChIKey: DKQSIFNVRWJHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(4-methylphenoxy)propyl]-3-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-methyl-N-[3-(4-methylphenoxy)propyl]-3-(piperidin-3-yl)benzamide
• Synonyms: N-methyl-N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.45560744
• LogD (pH = 7.4): 1.1987329
• Log P: 3.6716876
• Molar Refractivity: 110.7326 cm^3
• Polarizability: 42.50114 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.47
• LOG S: -4.84
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7