N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 322323
• Molecular Formular: C22H33N3O
• Molecular Mass: 355.51692
• Monoisotopic Mass: 355.26236269
• SMILES: C(=O)(N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1)CC1CC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1)CC1CC1
• InChI: InChI=1S/C22H33N3O/c26-22(14-18-7-8-18)25(17-20-4-3-11-23-15-20)16-19-9-12-24(13-10-19)21-5-1-2-6-21/h3-4,11,15,18-19,21H,1-2,5-10,12-14,16-17H2
• InChIKey: OWUBDWSKTOAHQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-2-cyclopropyl-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7924669
• LogD (pH = 7.4): 0.23278241
• Log P: 2.734371
• Molar Refractivity: 105.3716 cm^3
• Polarizability: 41.289223 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -3.27
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7