N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide

• ChemBase ID: 821777
• Molecular Formular: C22H33N3O
• Molecular Mass: 355.51692
• Monoisotopic Mass: 355.26236269
• SMILES: N(C(=O)CCC=C)(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: C=CCCC(=O)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H33N3O/c1-2-3-10-22(26)25(18-20-7-6-13-23-16-20)17-19-11-14-24(15-12-19)21-8-4-5-9-21/h2,6-7,13,16,19,21H,1,3-5,8-12,14-15,17-18H2
• InChIKey: WDVFGDFRYWRCME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(3-pyridinylmethyl)-4-pentenamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4751794
• LogD (pH = 7.4): 0.55006987
• Log P: 3.0516584
• Molar Refractivity: 107.2703 cm^3
• Polarizability: 41.785255 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -3.07
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 8