N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 401307
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: N1(CC(NC(=O)CCN2OCCCC2)CCC1)CC1CCCCC1
• Canonical SMILES: O=C(NC1CCCN(C1)CC1CCCCC1)CCN1CCCCO1
• InChI: InChI=1S/C19H35N3O2/c23-19(10-13-22-12-4-5-14-24-22)20-18-9-6-11-21(16-18)15-17-7-2-1-3-8-17/h17-18H,1-16H2,(H,20,23)
• InChIKey: HRSUFQPCRLNLTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.996288
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3942928
• LogD (pH = 7.4): 0.019953534
• Log P: 1.9392538
• Molar Refractivity: 96.9595 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.88
• LOG S: -2.05
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6