N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

• ChemBase ID: 844156
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C(=O)(N(Cc1ncccc1)CCc1ccc(cc1)OC)C1N(C)CCCC1
• Canonical SMILES: COc1ccc(cc1)CCN(C(=O)C1CCCCN1C)Cc1ccccn1
• InChI: InChI=1S/C22H29N3O2/c1-24-15-6-4-8-21(24)22(26)25(17-19-7-3-5-14-23-19)16-13-18-9-11-20(27-2)12-10-18/h3,5,7,9-12,14,21H,4,6,8,13,15-17H2,1-2H3
• InChIKey: WXMXYNDALPHGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-1-methyl-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.641555
• LogD (pH = 7.4): 2.3512094
• Log P: 2.8146203
• Molar Refractivity: 107.3399 cm^3
• Polarizability: 41.965076 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.41
• LOG S: -2.64
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7