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

• ChemBase ID: 572094
• Molecular Formular: C24H39N3O
• Molecular Mass: 385.58596
• Monoisotopic Mass: 385.30931288
• SMILES: C(=O)(N(CC1CCN(CCc2c(C)cccc2)CC1)C1CCCC1)CN(C)C
• Canonical SMILES: CN(CC(=O)N(C1CCCC1)CC1CCN(CC1)CCc1ccccc1C)C
• InChI: InChI=1S/C24H39N3O/c1-20-8-4-5-9-22(20)14-17-26-15-12-21(13-16-26)18-27(23-10-6-7-11-23)24(28)19-25(2)3/h4-5,8-9,21,23H,6-7,10-19H2,1-3H3
• InChIKey: XSJMHIYPLNDICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(dimethylamino)-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-(dimethylamino)-N-({1-[2-(2-methylphenyl)ethyl]piperidin-4-yl}methyl)acetamide
• Synonyms: N~1~-cyclopentyl-N~2~,N~2~-dimethyl-N~1~-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6324035
• LogD (pH = 7.4): 1.443245
• Log P: 3.6772268
• Molar Refractivity: 118.7794 cm^3
• Polarizability: 46.15607 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.3
• LOG S: -2.52
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7