1-(1-methylpiperidin-4-yl)-N-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 821294
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(CC(C(=O)NCCc2ncccc2)CCC1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCCc1ccccn1
• InChI: InChI=1S/C19H30N4O/c1-22-13-8-18(9-14-22)23-12-4-5-16(15-23)19(24)21-11-7-17-6-2-3-10-20-17/h2-3,6,10,16,18H,4-5,7-9,11-15H2,1H3,(H,21,24)
• InChIKey: LMNSGDJCTZREIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.804796
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.4826603
• LogD (pH = 7.4): -2.2717144
• Log P: 0.6880125
• Molar Refractivity: 97.0189 cm^3
• Polarizability: 38.01801 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: 0.68
• LOG S: -1.92
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5