N-benzyl-N-methyl-3-{1-[2-(pyridin-4-yl)acetyl]piperidin-4-yl}propanamide

• ChemBase ID: 442939
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)Cc2ccncc2)CCC(CCC(=O)N(Cc2ccccc2)C)CC1
• Canonical SMILES: CN(C(=O)CCC1CCN(CC1)C(=O)Cc1ccncc1)Cc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-25(18-21-5-3-2-4-6-21)22(27)8-7-19-11-15-26(16-12-19)23(28)17-20-9-13-24-14-10-20/h2-6,9-10,13-14,19H,7-8,11-12,15-18H2,1H3
• InChIKey: GVLCHEJJBQYQNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-{1-[2-(pyridin-4-yl)acetyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-{1-[2-(pyridin-4-yl)acetyl]piperidin-4-yl}propanamide
• Synonyms: N-benzyl-N-methyl-3-[1-(pyridin-4-ylacetyl)piperidin-4-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9915707
• LogD (pH = 7.4): 2.1032104
• Log P: 2.1048946
• Molar Refractivity: 110.6105 cm^3
• Polarizability: 42.806957 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.72
• LOG S: -2.14
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7