N,2,2-trimethyl-4-oxo-N-[1-(3-phenylpropyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

• ChemBase ID: 337685
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: C1(=CC(=O)CC(O1)(C)C)C(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: O=C1C=C(OC(C1)(C)C)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C23H32N2O3/c1-23(2)16-20(26)15-21(28-23)22(27)24(3)19-12-8-14-25(17-19)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,15,19H,7-8,11-14,16-17H2,1-3H3
• InChIKey: NGWSENHLRUQABW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2-trimethyl-4-oxo-N-[1-(3-phenylpropyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
• IUPAC Traditional name: N,6,6-trimethyl-4-oxo-N-[1-(3-phenylpropyl)piperidin-3-yl]-5H-pyran-2-carboxamide
• Synonyms: N,2,2-trimethyl-4-oxo-N-[1-(3-phenylpropyl)-3-piperidinyl]-3,4-dihydro-2H-pyran-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.3735
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5997867
• LogD (pH = 7.4): 2.36745
• Log P: 3.1006958
• Molar Refractivity: 112.8885 cm^3
• Polarizability: 43.359863 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.15
• LOG S: -3.53
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6