N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-propylcyclopentanecarboxamide

• ChemBase ID: 410396
• Molecular Formular: C16H28N2O
• Molecular Mass: 264.40632
• Monoisotopic Mass: 264.22016353
• SMILES: C(=O)(N(CC1=CCCN(C1)C)CCC)C1CCCC1
• Canonical SMILES: CCCN(C(=O)C1CCCC1)CC1=CCCN(C1)C
• InChI: InChI=1S/C16H28N2O/c1-3-10-18(16(19)15-8-4-5-9-15)13-14-7-6-11-17(2)12-14/h7,15H,3-6,8-13H2,1-2H3
• InChIKey: GRURROPEXHKOPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-propylcyclopentanecarboxamide
• IUPAC Traditional name: N-[(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methyl]-N-propylcyclopentanecarboxamide
• Synonyms: N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-propylcyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 31.242338 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.39901438
• LogD (pH = 7.4): 1.3744694
• Log P: 2.2810163
• Molar Refractivity: 81.0212 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 0
• Log P: 2.78
• LOG S: -3.5