N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 538467
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(CC(NC(=O)CCN2OCCCC2)CCC1)C1CCCCCC1
• Canonical SMILES: O=C(NC1CCCN(C1)C1CCCCCC1)CCN1CCCCO1
• InChI: InChI=1S/C19H35N3O2/c23-19(11-14-22-13-5-6-15-24-22)20-17-8-7-12-21(16-17)18-9-3-1-2-4-10-18/h17-18H,1-16H2,(H,20,23)
• InChIKey: PVCBMRGXZKIZGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.996294
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3269395
• LogD (pH = 7.4): -0.07338252
• Log P: 2.0688097
• Molar Refractivity: 96.8297 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.73
• LOG S: -2.06
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5