5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxan-4-yl)benzamide

• ChemBase ID: 861415
• Molecular Formular: C23H33ClN2O3
• Molecular Mass: 420.97272
• Monoisotopic Mass: 420.21797061
• SMILES: c1(C(=O)N(C2CCOCC2)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N(C1CCOCC1)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H33ClN2O3/c1-25(18-10-14-28-15-11-18)23(27)21-16-17(24)6-7-22(21)29-20-8-12-26(13-9-20)19-4-2-3-5-19/h6-7,16,18-20H,2-5,8-15H2,1H3
• InChIKey: LUYULSUPMUSIHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxan-4-yl)benzamide
• IUPAC Traditional name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxan-4-yl)benzamide
• Synonyms: 5-chloro-2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.30593836
• LogD (pH = 7.4): 1.0322198
• Log P: 3.0603058
• Molar Refractivity: 116.5376 cm^3
• Polarizability: 45.205215 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -4.26
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5