4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-3-methoxybenzamide

• ChemBase ID: 435547
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(CCC(Oc2c(cc(C(=O)NCC3CC3)cc2)OC)CC1)C1CCCC1
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)NCC1CC1
• InChI: InChI=1S/C22H32N2O3/c1-26-21-14-17(22(25)23-15-16-6-7-16)8-9-20(21)27-19-10-12-24(13-11-19)18-4-2-3-5-18/h8-9,14,16,18-19H,2-7,10-13,15H2,1H3,(H,23,25)
• InChIKey: FQAREUBQXBLGMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-3-methoxybenzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(cyclopropylmethyl)-3-methoxybenzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(cyclopropylmethyl)-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7012615
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46861428
• LogD (pH = 7.4): 0.87800807
• Log P: 2.894305
• Molar Refractivity: 106.7658 cm^3
• Polarizability: 41.47588 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.98
• LOG S: -4.87
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6