N-[2-phenyl-2-(piperidin-1-yl)ethyl]-2-(pyridin-4-yl)acetamide

• ChemBase ID: 522021
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: N1(C(CNC(=O)Cc2ccncc2)c2ccccc2)CCCCC1
• Canonical SMILES: O=C(Cc1ccncc1)NCC(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C20H25N3O/c24-20(15-17-9-11-21-12-10-17)22-16-19(18-7-3-1-4-8-18)23-13-5-2-6-14-23/h1,3-4,7-12,19H,2,5-6,13-16H2,(H,22,24)
• InChIKey: BEZHQMVNPBDBCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-phenyl-2-(piperidin-1-yl)ethyl]-2-(pyridin-4-yl)acetamide
• IUPAC Traditional name: N-[2-phenyl-2-(piperidin-1-yl)ethyl]-2-(pyridin-4-yl)acetamide
• Synonyms: N-(2-phenyl-2-piperidin-1-ylethyl)-2-pyridin-4-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.632743
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.51029795
• LogD (pH = 7.4): 1.3477328
• Log P: 2.463306
• Molar Refractivity: 96.3715 cm^3
• Polarizability: 37.61555 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -1.73
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6