4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxybutan-2-yl)benzamide

• ChemBase ID: 503169
• Molecular Formular: C23H36N2O4
• Molecular Mass: 404.54294
• Monoisotopic Mass: 404.26750764
• SMILES: C(=O)(c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC)NC(COC)CC
• Canonical SMILES: COCC(NC(=O)c1ccc(c(c1)OC)OC1CCN(CC1)C1CCCC1)CC
• InChI: InChI=1S/C23H36N2O4/c1-4-18(16-27-2)24-23(26)17-9-10-21(22(15-17)28-3)29-20-11-13-25(14-12-20)19-7-5-6-8-19/h9-10,15,18-20H,4-8,11-14,16H2,1-3H3,(H,24,26)
• InChIKey: OXUKFFBCQVIXHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxybutan-2-yl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-(1-methoxybutan-2-yl)benzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-3-methoxy-N-[1-(methoxymethyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.77025
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.35702077
• LogD (pH = 7.4): 0.9897239
• Log P: 3.0058496
• Molar Refractivity: 114.8101 cm^3
• Polarizability: 44.74106 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.91
• LOG S: -4.23
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6