N-(3-cyclopentylpropyl)-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 651155
• Molecular Formular: C25H40N2O3
• Molecular Mass: 416.5967
• Monoisotopic Mass: 416.30389315
• SMILES: C(=O)(c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC)N(CCCC1CCCC1)C
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(CCCC1CCCC1)C
• InChI: InChI=1S/C25H40N2O3/c1-19(2)27-16-13-22(14-17-27)30-24-18-21(11-12-23(24)29-4)25(28)26(3)15-7-10-20-8-5-6-9-20/h11-12,18-20,22H,5-10,13-17H2,1-4H3
• InChIKey: NTJUDVWAFJXVSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-4-methoxy-N-methyl-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-methylbenzamide
• Synonyms: N-(3-cyclopentylpropyl)-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0615342
• LogD (pH = 7.4): 2.6772172
• Log P: 4.236983
• Molar Refractivity: 122.8977 cm^3
• Polarizability: 47.730873 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.38
• LOG S: -4.51
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7