5-(azocane-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

• ChemBase ID: 496509
• Molecular Formular: C20H33N3O3
• Molecular Mass: 363.49432
• Monoisotopic Mass: 363.25219193
• SMILES: C1(C(=O)N2CCCCCCC2)CN(C(=O)CC1)CCCN1C(=O)CCC1
• Canonical SMILES: O=C1CCC(CN1CCCN1CCCC1=O)C(=O)N1CCCCCCC1
• InChI: InChI=1S/C20H33N3O3/c24-18-8-6-13-21(18)14-7-15-23-16-17(9-10-19(23)25)20(26)22-11-4-2-1-3-5-12-22/h17H,1-16H2
• InChIKey: FKYANMQBCVZGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(azocane-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
• IUPAC Traditional name: 5-(azocane-1-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
• Synonyms: 5-(1-azocanylcarbonyl)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3797006
• LogD (pH = 7.4): 0.37970194
• Log P: 0.37970194
• Molar Refractivity: 100.8521 cm^3
• Polarizability: 39.025826 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.43
• LOG S: -0.36
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 5