N-cyclopropyl-3-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl}propanamide

• ChemBase ID: 366408
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(Cc2c3c(c(cc2)OC)cccc3)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: COc1ccc(c2c1cccc2)CN1CCCC(C1)CCC(=O)NC1CC1
• InChI: InChI=1S/C23H30N2O2/c1-27-22-12-9-18(20-6-2-3-7-21(20)22)16-25-14-4-5-17(15-25)8-13-23(26)24-19-10-11-19/h2-3,6-7,9,12,17,19H,4-5,8,10-11,13-16H2,1H3,(H,24,26)
• InChIKey: KNLDELXOWKDQIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[(4-methoxy-1-naphthyl)methyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.961282
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.078095
• LogD (pH = 7.4): 1.4878365
• Log P: 3.4129806
• Molar Refractivity: 108.9252 cm^3
• Polarizability: 43.76809 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: 3.36
• LOG S: -4.08
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6