N-(4-{[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl}phenyl)acetamide

• ChemBase ID: 511745
• Molecular Formular: C25H26N2O2
• Molecular Mass: 386.48614
• Monoisotopic Mass: 386.19942808
• SMILES: C(=O)(c1c2c(ccc1)cccc2)C1CN(Cc2ccc(NC(=O)C)cc2)CCC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCCC(C1)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C25H26N2O2/c1-18(28)26-22-13-11-19(12-14-22)16-27-15-5-8-21(17-27)25(29)24-10-4-7-20-6-2-3-9-23(20)24/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3,(H,26,28)
• InChIKey: IDYWNODKAQVUCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[3-(1-naphthoyl)-1-piperidinyl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.34996
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3473809
• LogD (pH = 7.4): 3.1140227
• Log P: 4.125087
• Molar Refractivity: 117.9589 cm^3
• Polarizability: 46.112583 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.33
• LOG S: -4.67
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5