4-(piperidin-3-yl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]benzamide

• ChemBase ID: 636598
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(c2c(CCC1)cccc2)CCCNC(=O)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NCCCN1CCCc2c1cccc2
• InChI: InChI=1S/C24H31N3O/c28-24(21-12-10-19(11-13-21)22-7-3-14-25-18-22)26-15-5-17-27-16-4-8-20-6-1-2-9-23(20)27/h1-2,6,9-13,22,25H,3-5,7-8,14-18H2,(H,26,28)
• InChIKey: NOJLVNUUBYZXFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-yl)-N-[3-(1,2,3,4-tetrahydroquinolin-1-yl)propyl]benzamide
• IUPAC Traditional name: N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-(piperidin-3-yl)benzamide
• Synonyms: N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.13773
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.17507835
• LogD (pH = 7.4): 1.1724702
• Log P: 3.6847625
• Molar Refractivity: 116.6707 cm^3
• Polarizability: 44.0839 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.0
• LOG S: -5.37
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6