5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one

• ChemBase ID: 705324
• Molecular Formular: C24H36N2O3
• Molecular Mass: 400.55424
• Monoisotopic Mass: 400.27259302
• SMILES: C(=O)(C1CN(C(=O)CC1)CCCc1ccccc1)N1CCC(CC1)CCCOC
• Canonical SMILES: COCCCC1CCN(CC1)C(=O)C1CCC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H36N2O3/c1-29-18-6-10-21-13-16-25(17-14-21)24(28)22-11-12-23(27)26(19-22)15-5-9-20-7-3-2-4-8-20/h2-4,7-8,21-22H,5-6,9-19H2,1H3
• InChIKey: IESOZXBTBCUQAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
• IUPAC Traditional name: 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
• Synonyms: 5-{[4-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-(3-phenylpropyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7983696
• LogD (pH = 7.4): 2.7983704
• Log P: 2.7983704
• Molar Refractivity: 115.9982 cm^3
• Polarizability: 45.12687 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.69
• LOG S: -3.59
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8