N-[4-({methyl[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)phenyl]acetamide

• ChemBase ID: 855737
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: N(C1CN(CCCc2ccccc2)CCC1)(Cc1ccc(NC(=O)C)cc1)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C24H33N3O/c1-20(28)25-23-14-12-22(13-15-23)18-26(2)24-11-7-17-27(19-24)16-6-10-21-8-4-3-5-9-21/h3-5,8-9,12-15,24H,6-7,10-11,16-19H2,1-2H3,(H,25,28)
• InChIKey: BUPXWBVCKHKOSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({methyl[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-({methyl[1-(3-phenylpropyl)piperidin-3-yl]amino}methyl)phenyl]acetamide
• Synonyms: N-[4-({methyl[1-(3-phenylpropyl)-3-piperidinyl]amino}methyl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.35509
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17119573
• LogD (pH = 7.4): 1.7036649
• Log P: 4.094265
• Molar Refractivity: 118.6626 cm^3
• Polarizability: 45.51026 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.36
• LOG S: -3.9
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 8