1-[1-(furan-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

• ChemBase ID: 825787
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NCCOC)CCC2)CC1)c1occc1
• Canonical SMILES: COCCNC(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C19H29N3O4/c1-25-13-8-20-18(23)15-4-2-9-22(14-15)16-6-10-21(11-7-16)19(24)17-5-3-12-26-17/h3,5,12,15-16H,2,4,6-11,13-14H2,1H3,(H,20,23)
• InChIKey: QLPIPRQVTDDCPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(furan-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(furan-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• Synonyms: 1'-(2-furoyl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.530777
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4042475
• LogD (pH = 7.4): -2.0536242
• Log P: -0.04293294
• Molar Refractivity: 98.7621 cm^3
• Polarizability: 37.828396 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.43
• LOG S: -2.22
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6