5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methylbenzamide

• ChemBase ID: 842911
• Molecular Formular: C18H25ClN2O2
• Molecular Mass: 336.8563
• Monoisotopic Mass: 336.16045573
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc(Cl)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C18H25ClN2O2/c1-20-18(22)16-12-13(19)6-7-17(16)23-15-8-10-21(11-9-15)14-4-2-3-5-14/h6-7,12,14-15H,2-5,8-11H2,1H3,(H,20,22)
• InChIKey: UXCKFMJQXBTKNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methylbenzamide
• IUPAC Traditional name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methylbenzamide
• Synonyms: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.599751
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4910966
• LogD (pH = 7.4): 0.8462961
• Log P: 2.8754437
• Molar Refractivity: 93.1654 cm^3
• Polarizability: 36.03035 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.49
• LOG S: -4.64
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4