N-(1-propylcyclopropyl)-1-(pyridine-2-carbonyl)piperidin-4-amine

• ChemBase ID: 572111
• Molecular Formular: C17H25N3O
• Molecular Mass: 287.3999
• Monoisotopic Mass: 287.19976244
• SMILES: C(=O)(N1CCC(NC2(CC2)CCC)CC1)c1ncccc1
• Canonical SMILES: CCCC1(CC1)NC1CCN(CC1)C(=O)c1ccccn1
• InChI: InChI=1S/C17H25N3O/c1-2-8-17(9-10-17)19-14-6-12-20(13-7-14)16(21)15-5-3-4-11-18-15/h3-5,11,14,19H,2,6-10,12-13H2,1H3
• InChIKey: DGJPRHVWZDQHBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-propylcyclopropyl)-1-(pyridine-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-(1-propylcyclopropyl)-1-(pyridine-2-carbonyl)piperidin-4-amine
• Synonyms: N-(1-propylcyclopropyl)-1-(pyridin-2-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4358999
• LogD (pH = 7.4): -0.998767
• Log P: 1.7964066
• Molar Refractivity: 83.5317 cm^3
• Polarizability: 32.59373 Å^3
• Polar Surface Area: 45.23 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: 1.37
• LOG S: -2.47
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5