N-benzyl-N-methyl-1-(6-methylpyridine-2-carbonyl)piperidin-3-amine

• ChemBase ID: 315868
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: N1(C(=O)c2nc(ccc2)C)CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCCC(C1)N(Cc1ccccc1)C
• InChI: InChI=1S/C20H25N3O/c1-16-8-6-12-19(21-16)20(24)23-13-7-11-18(15-23)22(2)14-17-9-4-3-5-10-17/h3-6,8-10,12,18H,7,11,13-15H2,1-2H3
• InChIKey: QHXFDCZRQOPDSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-1-(6-methylpyridine-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-benzyl-N-methyl-1-(6-methylpyridine-2-carbonyl)piperidin-3-amine
• Synonyms: N-benzyl-N-methyl-1-[(6-methyl-2-pyridinyl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.4174256
• Log P: 2.7794685
• Molar Refractivity: 96.8353 cm^3
• Polarizability: 37.32522 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.27496713

供应商提供(Chembridge)

• Log P: 2.96
• LOG S: -2.87
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0