5-(azocane-1-carbonyl)-1-cyclopentylpiperidin-2-one

• ChemBase ID: 461620
• Molecular Formular: C18H30N2O2
• Molecular Mass: 306.443
• Monoisotopic Mass: 306.23072821
• SMILES: N1(CC(C(=O)N2CCCCCCC2)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)N1CCCCCCC1
• InChI: InChI=1S/C18H30N2O2/c21-17-11-10-15(14-20(17)16-8-4-5-9-16)18(22)19-12-6-2-1-3-7-13-19/h15-16H,1-14H2
• InChIKey: CIDNUYATYZNZDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(azocane-1-carbonyl)-1-cyclopentylpiperidin-2-one
• IUPAC Traditional name: 5-(azocane-1-carbonyl)-1-cyclopentylpiperidin-2-one
• Synonyms: 5-(1-azocanylcarbonyl)-1-cyclopentyl-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2019007
• LogD (pH = 7.4): 2.2019022
• Log P: 2.2019022
• Molar Refractivity: 87.2143 cm^3
• Polarizability: 34.113663 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.81
• LOG S: -2.33
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2