2-[methyl(pyridin-4-ylmethyl)amino]-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 661502
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)CN(Cc1ccncc1)C
• Canonical SMILES: O=C(CN(Cc1ccncc1)C)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H32N4O/c1-26(17-21-11-13-24-14-12-21)19-23(28)25-22-10-6-16-27(18-22)15-5-9-20-7-3-2-4-8-20/h2-4,7-8,11-14,22H,5-6,9-10,15-19H2,1H3,(H,25,28)
• InChIKey: ZOLCHBVKWRICFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(pyridin-4-ylmethyl)amino]-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-[methyl(pyridin-4-ylmethyl)amino]-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: N~2~-methyl-N~1~-[1-(3-phenylpropyl)-3-piperidinyl]-N~2~-(4-pyridinylmethyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.476179
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5183165
• LogD (pH = 7.4): 1.2141656
• Log P: 2.533599
• Molar Refractivity: 114.4462 cm^3
• Polarizability: 44.59876 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.21
• LOG S: -2.45
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 9