2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(propan-2-yl)benzamide

• ChemBase ID: 826432
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: c1(C(=O)N(C(C)C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(C(C)C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H34N2O3/c1-16(2)23(3)22(25)20-15-19(26-4)9-10-21(20)27-18-11-13-24(14-12-18)17-7-5-6-8-17/h9-10,15-18H,5-8,11-14H2,1-4H3
• InChIKey: AHTBMLNZPWHSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-isopropyl-5-methoxy-N-methylbenzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-isopropyl-5-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Log P: 3.1107867
• Molar Refractivity: 108.8879 cm^3
• Polarizability: 42.204163 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.2619538
• LogD (pH = 7.4): 1.0589598

供应商提供(Chembridge)

• Log P: 2.96
• LOG S: -3.75
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0