N-[(3-methoxyphenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide

• ChemBase ID: 683988
• Molecular Formular: C26H34N2O3
• Molecular Mass: 422.55976
• Monoisotopic Mass: 422.25694296
• SMILES: N1(C(=O)CCCc2ccccc2)CC(CCC(=O)NCc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)CNC(=O)CCC1CCCN(C1)C(=O)CCCc1ccccc1
• InChI: InChI=1S/C26H34N2O3/c1-31-24-13-5-11-23(18-24)19-27-25(29)16-15-22-12-7-17-28(20-22)26(30)14-6-10-21-8-3-2-4-9-21/h2-5,8-9,11,13,18,22H,6-7,10,12,14-17,19-20H2,1H3,(H,27,29)
• InChIKey: GDZZKFOFFXAARY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
• Synonyms: N-(3-methoxybenzyl)-3-[1-(4-phenylbutanoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.550017
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9083104
• LogD (pH = 7.4): 3.908311
• Log P: 3.908311
• Molar Refractivity: 123.4589 cm^3
• Polarizability: 48.06907 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.15
• LOG S: -5.49
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 9