1-(1-benzylpiperidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 741266
• Molecular Formular: C25H34N4O
• Molecular Mass: 406.56366
• Monoisotopic Mass: 406.27326173
• SMILES: C(=O)(C1CN(C2CCN(CC2)Cc2ccccc2)CCC1)N(Cc1ncccc1)C
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)Cc1ccccc1)N(Cc1ccccn1)C
• InChI: InChI=1S/C25H34N4O/c1-27(20-23-11-5-6-14-26-23)25(30)22-10-7-15-29(19-22)24-12-16-28(17-13-24)18-21-8-3-2-4-9-21/h2-6,8-9,11,14,22,24H,7,10,12-13,15-20H2,1H3
• InChIKey: QIJFHFKPQQNKMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzylpiperidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-benzylpiperidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1'-benzyl-N-methyl-N-(2-pyridinylmethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8074942
• LogD (pH = 7.4): -0.5184808
• Log P: 2.399149
• Molar Refractivity: 121.8288 cm^3
• Polarizability: 47.62972 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.35
• LOG S: -2.22
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 6