N-methyl-N-[3-(oxolan-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide

• ChemBase ID: 549176
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: C(=O)(c1ccc(CN2CCCCC2)cc1)N(CCCC1OCCC1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)CN1CCCCC1)CCCC1CCCO1
• InChI: InChI=1S/C21H32N2O2/c1-22(13-5-7-20-8-6-16-25-20)21(24)19-11-9-18(10-12-19)17-23-14-3-2-4-15-23/h9-12,20H,2-8,13-17H2,1H3
• InChIKey: GWXQHMDLEXEUBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(oxolan-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-N-[3-(oxolan-2-yl)propyl]-4-(piperidin-1-ylmethyl)benzamide
• Synonyms: N-methyl-4-(piperidin-1-ylmethyl)-N-[3-(tetrahydrofuran-2-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 1.5045518
• Log P: 3.0589125
• Molar Refractivity: 103.3792 cm^3
• Polarizability: 39.70152 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.11356096

供应商提供(Chembridge)

• Log P: 2.51
• LOG S: -3.86
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0