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

• ChemBase ID: 551194
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: N1(C(=O)CCC(C(=O)N2CCC(CC2)CCCOC)C1)CCc1ccccc1
• Canonical SMILES: COCCCC1CCN(CC1)C(=O)C1CCC(=O)N(C1)CCc1ccccc1
• InChI: InChI=1S/C23H34N2O3/c1-28-17-5-8-20-11-14-24(15-12-20)23(27)21-9-10-22(26)25(18-21)16-13-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3
• InChIKey: GIUCLFNVLHQXDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.353801
• LogD (pH = 7.4): 2.3538017
• Log P: 2.3538017
• Molar Refractivity: 111.3972 cm^3
• Polarizability: 43.285065 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.31
• LOG S: -3.06
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7