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

• ChemBase ID: 574871
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: N(C(=O)C1CCNCC1)(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(C1CCNCC1)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C17H25N3O2/c21-17(14-6-9-18-10-7-14)20(13-16-5-3-11-22-16)12-15-4-1-2-8-19-15/h1-2,4,8,14,16,18H,3,5-7,9-13H2
• InChIKey: AVEGLMDHXZRSDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7161527
• LogD (pH = 7.4): -2.1142597
• Log P: 0.5275033
• Molar Refractivity: 84.8791 cm^3
• Polarizability: 33.495144 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.01
• LOG S: -1.42
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5