N,2-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-3-carboxamide

• ChemBase ID: 688511
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: c1(C(=O)N(CCN2CCC(CC2)C)C)c(occ1)C
• Canonical SMILES: CC1CCN(CC1)CCN(C(=O)c1ccoc1C)C
• InChI: InChI=1S/C15H24N2O2/c1-12-4-7-17(8-5-12)10-9-16(3)15(18)14-6-11-19-13(14)2/h6,11-12H,4-5,7-10H2,1-3H3
• InChIKey: KASWLXFENGUVCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-3-carboxamide
• Synonyms: N,2-dimethyl-N-[2-(4-methyl-1-piperidinyl)ethyl]-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0099691
• LogD (pH = 7.4): 0.7567462
• Log P: 1.7670748
• Molar Refractivity: 77.3026 cm^3
• Polarizability: 29.167253 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -1.65
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4