5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxolan-3-yl)benzamide

• ChemBase ID: 492058
• Molecular Formular: C22H31ClN2O3
• Molecular Mass: 406.94614
• Monoisotopic Mass: 406.20232054
• SMILES: c1(C(=O)N(C2CCOC2)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N(C1CCOC1)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H31ClN2O3/c1-24(18-10-13-27-15-18)22(26)20-14-16(23)6-7-21(20)28-19-8-11-25(12-9-19)17-4-2-3-5-17/h6-7,14,17-19H,2-5,8-13,15H2,1H3
• InChIKey: NJPAHDCDNKKFQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(oxolan-3-yl)benzamide
• Synonyms: 5-chloro-2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-methyl-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.36587963
• LogD (pH = 7.4): 0.9723261
• Log P: 3.000346
• Molar Refractivity: 111.6722 cm^3
• Polarizability: 43.367332 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: 3.11
• LOG S: -3.54
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5