4-(dimethylamino)-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide

• ChemBase ID: 507014
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)c1ccc(N(C)C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N(C)C)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H31N3O/c1-25(2)22-14-12-20(13-15-22)23(27)24-21-11-7-17-26(18-21)16-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-15,21H,6-7,10-11,16-18H2,1-2H3,(H,24,27)
• InChIKey: MGPLITYXIGQNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 4-(dimethylamino)-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
• Synonyms: 4-(dimethylamino)-N-[1-(3-phenylpropyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.788984
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1534109
• LogD (pH = 7.4): 2.8917422
• Log P: 4.097518
• Molar Refractivity: 113.6606 cm^3
• Polarizability: 43.05622 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.55
• LOG S: -4.98
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6