N-methyl-2-{methyl[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino}propanamide

• ChemBase ID: 617628
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: N(C(C(=O)NC)C)(C1CCN(Cc2cnccc2)CC1)C
• Canonical SMILES: CNC(=O)C(N(C1CCN(CC1)Cc1cccnc1)C)C
• InChI: InChI=1S/C16H26N4O/c1-13(16(21)17-2)19(3)15-6-9-20(10-7-15)12-14-5-4-8-18-11-14/h4-5,8,11,13,15H,6-7,9-10,12H2,1-3H3,(H,17,21)
• InChIKey: WPBRKXOJGJMCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{methyl[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino}propanamide
• IUPAC Traditional name: N-methyl-2-{methyl[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino}propanamide
• Synonyms: N-methyl-2-{methyl[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.723899
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.965543
• LogD (pH = 7.4): -1.3986688
• Log P: 0.18725729
• Molar Refractivity: 85.1923 cm^3
• Polarizability: 33.21721 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: 0.001
• LOG S: -1.33
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5