1-(1-methylpiperidin-4-yl)-N-[(2-methylpyridin-4-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 370572
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(CC(C(=O)NCc2cc(ncc2)C)CCC1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCc1ccnc(c1)C
• InChI: InChI=1S/C19H30N4O/c1-15-12-16(5-8-20-15)13-21-19(24)17-4-3-9-23(14-17)18-6-10-22(2)11-7-18/h5,8,12,17-18H,3-4,6-7,9-11,13-14H2,1-2H3,(H,21,24)
• InChIKey: KOUJYFMPYDXPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyridin-4-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyridin-4-yl)methyl]piperidine-3-carboxamide
• Synonyms: 1'-methyl-N-[(2-methylpyridin-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.653973
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.011834
• LogD (pH = 7.4): -2.467225
• Log P: 0.500898
• Molar Refractivity: 97.4332 cm^3
• Polarizability: 37.93801 Å^3
• Polar Surface Area: 48.47 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: 0.95
• LOG S: -1.12
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4