N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-3-(1,2-oxazolidin-2-yl)propanamide

• ChemBase ID: 335681
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: N1(Cc2cc(OC)ccc2)CC(NC(=O)CCN2OCCC2)CCC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC(C1)NC(=O)CCN1CCCO1
• InChI: InChI=1S/C19H29N3O3/c1-24-18-7-2-5-16(13-18)14-21-9-3-6-17(15-21)20-19(23)8-11-22-10-4-12-25-22/h2,5,7,13,17H,3-4,6,8-12,14-15H2,1H3,(H,20,23)
• InChIKey: FNHZGIGBTPIJKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-3-(1,2-oxazolidin-2-yl)propanamide
• IUPAC Traditional name: N-{1-[(3-methoxyphenyl)methyl]piperidin-3-yl}-3-(1,2-oxazolidin-2-yl)propanamide
• Synonyms: 3-(2-isoxazolidinyl)-N-[1-(3-methoxybenzyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.615795
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3685012
• LogD (pH = 7.4): 0.354008
• Log P: 0.8744097
• Molar Refractivity: 97.6457 cm^3
• Polarizability: 38.437973 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -0.85
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6