N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(piperidin-1-yl)acetamide

• ChemBase ID: 779422
• Molecular Formular: C18H31N3O2
• Molecular Mass: 321.45764
• Monoisotopic Mass: 321.24162725
• SMILES: N1(C(=O)CC(C1)NC(=O)CN1CCCCC1)C1CCCCCC1
• Canonical SMILES: O=C(NC1CN(C(=O)C1)C1CCCCCC1)CN1CCCCC1
• InChI: InChI=1S/C18H31N3O2/c22-17(14-20-10-6-3-7-11-20)19-15-12-18(23)21(13-15)16-8-4-1-2-5-9-16/h15-16H,1-14H2,(H,19,22)
• InChIKey: GHPUWMOICDEPBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(piperidin-1-yl)acetamide
• Synonyms: N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-2-(1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.630854
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73267263
• LogD (pH = 7.4): 0.96474963
• Log P: 1.4227393
• Molar Refractivity: 90.6496 cm^3
• Polarizability: 35.6418 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.81
• LOG S: -2.05
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4