N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

• ChemBase ID: 428879
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: C(=O)(N(Cc1cocc1)C)CN(C1CCNCC1)C
• Canonical SMILES: CN(C1CCNCC1)CC(=O)N(Cc1ccoc1)C
• InChI: InChI=1S/C14H23N3O2/c1-16(13-3-6-15-7-4-13)10-14(18)17(2)9-12-5-8-19-11-12/h5,8,11,13,15H,3-4,6-7,9-10H2,1-2H3
• InChIKey: VNKYNPDHPLFGFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
• Synonyms: N~1~-(3-furylmethyl)-N~1~,N~2~-dimethyl-N~2~-piperidin-4-ylglycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.536188
• LogD (pH = 7.4): -2.9400132
• Log P: -0.18296088
• Molar Refractivity: 74.9707 cm^3
• Polarizability: 29.13868 Å^3
• Polar Surface Area: 48.72 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: 0.58
• LOG S: -1.63
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 5