N-methyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}-N-(oxolan-3-yl)piperidine-4-carboxamide

• ChemBase ID: 463125
• Molecular Formular: C23H36N4O2
• Molecular Mass: 400.55754
• Monoisotopic Mass: 400.28382641
• SMILES: C(=O)(N(C1CCOC1)C)C1CCN(C2CCN(Cc3nc(ccc3)C)CC2)CC1
• Canonical SMILES: O=C(N(C1COCC1)C)C1CCN(CC1)C1CCN(CC1)Cc1cccc(n1)C
• InChI: InChI=1S/C23H36N4O2/c1-18-4-3-5-20(24-18)16-26-11-8-21(9-12-26)27-13-6-19(7-14-27)23(28)25(2)22-10-15-29-17-22/h3-5,19,21-22H,6-17H2,1-2H3
• InChIKey: VYZHANIMLULPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}-N-(oxolan-3-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-methyl-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}-N-(oxolan-3-yl)piperidine-4-carboxamide
• Synonyms: N-methyl-1'-[(6-methyl-2-pyridinyl)methyl]-N-(tetrahydro-3-furanyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.4607363
• LogD (pH = 7.4): -1.7734662
• Log P: 0.55136484
• Molar Refractivity: 115.5718 cm^3
• Polarizability: 45.266262 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.18
• LOG S: -0.82
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 5