N-methyl-N-[2-(oxan-2-yl)ethyl]-4-(piperidin-1-yl)benzamide

• ChemBase ID: 724724
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: C(=O)(N(CCC1OCCCC1)C)c1ccc(N2CCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCCCC1)N(CCC1CCCCO1)C
• InChI: InChI=1S/C20H30N2O2/c1-21(15-12-19-7-3-6-16-24-19)20(23)17-8-10-18(11-9-17)22-13-4-2-5-14-22/h8-11,19H,2-7,12-16H2,1H3
• InChIKey: ZDNUGFKRYDDURI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(oxan-2-yl)ethyl]-4-(piperidin-1-yl)benzamide
• IUPAC Traditional name: N-methyl-N-[2-(oxan-2-yl)ethyl]-4-(piperidin-1-yl)benzamide
• Synonyms: N-methyl-4-piperidin-1-yl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1378
• LogD (pH = 7.4): 3.152574
• Log P: 3.1527658
• Molar Refractivity: 99.2215 cm^3
• Polarizability: 37.471817 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.43
• LOG S: -3.69
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5