N-butyl-N-(furan-2-ylmethyl)-3-(2-oxopiperidin-1-yl)propanamide

• ChemBase ID: 388534
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: N1(C(=O)CCCC1)CCC(=O)N(Cc1occc1)CCCC
• Canonical SMILES: CCCCN(C(=O)CCN1CCCCC1=O)Cc1ccco1
• InChI: InChI=1S/C17H26N2O3/c1-2-3-10-19(14-15-7-6-13-22-15)17(21)9-12-18-11-5-4-8-16(18)20/h6-7,13H,2-5,8-12,14H2,1H3
• InChIKey: LHNXUYMVHASYAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-(furan-2-ylmethyl)-3-(2-oxopiperidin-1-yl)propanamide
• IUPAC Traditional name: N-butyl-N-(furan-2-ylmethyl)-3-(2-oxopiperidin-1-yl)propanamide
• Synonyms: N-butyl-N-(2-furylmethyl)-3-(2-oxopiperidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5526596
• LogD (pH = 7.4): 1.5526597
• Log P: 1.5526597
• Molar Refractivity: 85.0323 cm^3
• Polarizability: 32.832256 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -3.61
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 8