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

• ChemBase ID: 542410
• Molecular Formular: C22H29N3O
• Molecular Mass: 351.48516
• Monoisotopic Mass: 351.23106256
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)Cc1ncccc1
• Canonical SMILES: O=C(N(C1CCCN(C1)CCCc1ccccc1)C)Cc1ccccn1
• InChI: InChI=1S/C22H29N3O/c1-24(22(26)17-20-12-5-6-14-23-20)21-13-8-16-25(18-21)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,12,14,21H,7-8,11,13,15-18H2,1H3
• InChIKey: DLVVDULHLHRLCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(pyridin-2-yl)acetamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-2-(2-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.23616606
• LogD (pH = 7.4): 1.921019
• Log P: 3.3614936
• Molar Refractivity: 105.6512 cm^3
• Polarizability: 41.232246 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -3.44
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7