N-[(1-propylcyclobutyl)methyl]-1-(pyridine-3-carbonyl)piperidin-4-amine

• ChemBase ID: 638568
• Molecular Formular: C19H29N3O
• Molecular Mass: 315.45306
• Monoisotopic Mass: 315.23106256
• SMILES: C(=O)(N1CCC(NCC2(CCC2)CCC)CC1)c1cnccc1
• Canonical SMILES: CCCC1(CCC1)CNC1CCN(CC1)C(=O)c1cccnc1
• InChI: InChI=1S/C19H29N3O/c1-2-8-19(9-4-10-19)15-21-17-6-12-22(13-7-17)18(23)16-5-3-11-20-14-16/h3,5,11,14,17,21H,2,4,6-10,12-13,15H2,1H3
• InChIKey: KCHXBZWJLJMLBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-propylcyclobutyl)methyl]-1-(pyridine-3-carbonyl)piperidin-4-amine
• IUPAC Traditional name: N-[(1-propylcyclobutyl)methyl]-1-(pyridine-3-carbonyl)piperidin-4-amine
• Synonyms: N-[(1-propylcyclobutyl)methyl]-1-(pyridin-3-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0520061
• LogD (pH = 7.4): -0.7548028
• Log P: 2.189608
• Molar Refractivity: 93.0724 cm^3
• Polarizability: 36.274822 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -3.36
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6