N-cyclopentyl-4-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)-2-oxopentanamide

• ChemBase ID: 346846
• Molecular Formular: C26H40N2O2
• Molecular Mass: 412.608
• Monoisotopic Mass: 412.30897853
• SMILES: C(=O)(N(CC1CCN(CCc2c(C)cccc2)CC1)C1CCCC1)C(=O)CC(C)C
• Canonical SMILES: CC(CC(=O)C(=O)N(C1CCCC1)CC1CCN(CC1)CCc1ccccc1C)C
• InChI: InChI=1S/C26H40N2O2/c1-20(2)18-25(29)26(30)28(24-10-6-7-11-24)19-22-12-15-27(16-13-22)17-14-23-9-5-4-8-21(23)3/h4-5,8-9,20,22,24H,6-7,10-19H2,1-3H3
• InChIKey: LRSIUGLKMVAWGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)-2-oxopentanamide
• IUPAC Traditional name: N-cyclopentyl-4-methyl-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)-2-oxopentanamide
• Synonyms: N-cyclopentyl-4-methyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-2-oxopentanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5622578
• LogD (pH = 7.4): 4.2961783
• Log P: 5.5070715
• Molar Refractivity: 124.4729 cm^3
• Polarizability: 48.36927 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.97
• LOG S: -4.6
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 8