1-cycloheptyl-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one

• ChemBase ID: 675975
• Molecular Formular: C17H28N2O3
• Molecular Mass: 308.41582
• Monoisotopic Mass: 308.20999277
• SMILES: N1(CC(C(=O)N2OCCCC2)CCC1=O)C1CCCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCCCC1)N1CCCCO1
• InChI: InChI=1S/C17H28N2O3/c20-16-10-9-14(17(21)19-11-5-6-12-22-19)13-18(16)15-7-3-1-2-4-8-15/h14-15H,1-13H2
• InChIKey: OIRMPVBCAHGMLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cycloheptyl-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-cycloheptyl-5-(1,2-oxazinane-2-carbonyl)piperidin-2-one
• Synonyms: 1-cycloheptyl-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9084363
• LogD (pH = 7.4): 1.9084365
• Log P: 1.9084365
• Molar Refractivity: 83.9635 cm^3
• Polarizability: 32.98401 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -2.62
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 2