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

• ChemBase ID: 714049
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: N1(C(=O)c2cnc(cc2)C)CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1ccc(nc1)C)Cc1ccccc1
• InChI: InChI=1S/C20H25N3O/c1-16-10-11-18(13-21-16)20(24)23-12-6-9-19(15-23)22(2)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3
• InChIKey: GAXUVCKIYNABLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6894384
• LogD (pH = 7.4): 1.0311664
• Log P: 2.393618
• Molar Refractivity: 97.2073 cm^3
• Polarizability: 37.319935 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -2.75
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4