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

• ChemBase ID: 391748
• Molecular Formular: C23H34N4O2
• Molecular Mass: 398.54166
• Monoisotopic Mass: 398.26817635
• SMILES: N1(C(=O)CCC1)CC(=O)N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1)CN1CCCC1=O
• InChI: InChI=1S/C23H34N4O2/c28-22-8-4-12-26(22)18-23(29)27(17-20-5-3-11-24-15-20)16-19-9-13-25(14-10-19)21-6-1-2-7-21/h3,5,11,15,19,21H,1-2,4,6-10,12-14,16-18H2
• InChIKey: MLKCLETXPSZFGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.428656
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4154677
• LogD (pH = 7.4): -1.3902194
• Log P: 1.111369
• Molar Refractivity: 113.9928 cm^3
• Polarizability: 44.331676 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -1.26
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 7