4-chloro-2-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide

• ChemBase ID: 576849
• Molecular Formular: C18H27ClN2O3
• Molecular Mass: 354.87158
• Monoisotopic Mass: 354.17102041
• SMILES: C(=O)(c1c(cc(cc1)Cl)OC)N(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1ccc(cc1OC)Cl)C1CCN(CC1)C
• InChI: InChI=1S/C18H27ClN2O3/c1-20-10-7-15(8-11-20)21(9-4-12-23-2)18(22)16-6-5-14(19)13-17(16)24-3/h5-6,13,15H,4,7-12H2,1-3H3
• InChIKey: CITSTMGGLNSJQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
• IUPAC Traditional name: 4-chloro-2-methoxy-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
• Synonyms: 4-chloro-2-methoxy-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0495635
• LogD (pH = 7.4): 0.7134421
• Log P: 1.7574021
• Molar Refractivity: 97.5578 cm^3
• Polarizability: 37.47428 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -3.95
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7