N-cyclobutyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 541840
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: C(=O)(NC1CCC1)C1CCN(C2CCN(Cc3nc(ccc3)C)CC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)Cc1cccc(n1)C)NC1CCC1
• InChI: InChI=1S/C22H34N4O/c1-17-4-2-7-20(23-17)16-25-12-10-21(11-13-25)26-14-8-18(9-15-26)22(27)24-19-5-3-6-19/h2,4,7,18-19,21H,3,5-6,8-16H2,1H3,(H,24,27)
• InChIKey: GGWVFDKTQGGKPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-cyclobutyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-cyclobutyl-1'-[(6-methyl-2-pyridinyl)methyl]-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.889743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.679035
• LogD (pH = 7.4): -1.066503
• Log P: 1.3365957
• Molar Refractivity: 108.8772 cm^3
• Polarizability: 42.737713 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.65
• LOG S: -2.82
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5