N-cyclopropyl-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 551415
• Molecular Formular: C20H31N5O
• Molecular Mass: 357.49304
• Monoisotopic Mass: 357.25286064
• SMILES: c1(N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)nc(cnc1C)C
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1nc(C)cnc1C)NC1CC1
• InChI: InChI=1S/C20H31N5O/c1-14-12-21-15(2)19(22-14)24-10-7-18(8-11-24)25-9-3-4-16(13-25)20(26)23-17-5-6-17/h12,16-18H,3-11,13H2,1-2H3,(H,23,26)
• InChIKey: JMUTWGBEUBVXJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-(3,6-dimethylpyrazin-2-yl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.512095
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.729381
• LogD (pH = 7.4): -1.4014901
• Log P: 0.6412649
• Molar Refractivity: 103.2784 cm^3
• Polarizability: 39.537468 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -3.02
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4