1-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 774678
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: N(C(=O)C1CCN(Cc2occc2)CC1)(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C22H29N3O3/c26-22(18-8-11-24(12-9-18)16-20-6-3-13-27-20)25(17-21-7-4-14-28-21)15-19-5-1-2-10-23-19/h1-3,5-6,10,13,18,21H,4,7-9,11-12,14-17H2
• InChIKey: VLTPBIMVLQOLGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9916033
• LogD (pH = 7.4): 0.7996295
• Log P: 1.695271
• Molar Refractivity: 107.1773 cm^3
• Polarizability: 41.79547 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.4
• LOG S: -1.89
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7