N-{[1-(cyclopentylmethyl)piperidin-3-yl]methyl}acetamide

• ChemBase ID: 525203
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: N1(CC(CNC(=O)C)CCC1)CC1CCCC1
• Canonical SMILES: CC(=O)NCC1CCCN(C1)CC1CCCC1
• InChI: InChI=1S/C14H26N2O/c1-12(17)15-9-14-7-4-8-16(11-14)10-13-5-2-3-6-13/h13-14H,2-11H2,1H3,(H,15,17)
• InChIKey: MSVZISYQNKKYCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(cyclopentylmethyl)piperidin-3-yl]methyl}acetamide
• IUPAC Traditional name: N-{[1-(cyclopentylmethyl)piperidin-3-yl]methyl}acetamide
• Synonyms: N-{[1-(cyclopentylmethyl)piperidin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.382803
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0743854
• LogD (pH = 7.4): -1.2261605
• Log P: 1.392066
• Molar Refractivity: 70.6769 cm^3
• Polarizability: 27.793371 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.8
• LOG S: -2.48
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4