N-(dicyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 642289
• Molecular Formular: C19H33N3O
• Molecular Mass: 319.48482
• Monoisotopic Mass: 319.26236269
• SMILES: C(=O)(NC(C1CC1)C1CC1)C1CN(C2CCN(CC2)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NC(C1CC1)C1CC1
• InChI: InChI=1S/C19H33N3O/c1-21-11-8-17(9-12-21)22-10-2-3-16(13-22)19(23)20-18(14-4-5-14)15-6-7-15/h14-18H,2-13H2,1H3,(H,20,23)
• InChIKey: JFJHESKPNQNPGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.002047
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.643709
• LogD (pH = 7.4): -1.4034733
• Log P: 1.4836488
• Molar Refractivity: 93.9402 cm^3
• Polarizability: 37.072514 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.8
• LOG S: -2.19
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 5