2-cyclopentyl-N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)acetamide

• ChemBase ID: 488309
• Molecular Formular: C24H38N2O2
• Molecular Mass: 386.57072
• Monoisotopic Mass: 386.29332847
• SMILES: C(=O)(N(CC1CN(CCc2cc(OC)ccc2)CCC1)CC)CC1CCCC1
• Canonical SMILES: CCN(C(=O)CC1CCCC1)CC1CCCN(C1)CCc1cccc(c1)OC
• InChI: InChI=1S/C24H38N2O2/c1-3-26(24(27)17-20-8-4-5-9-20)19-22-11-7-14-25(18-22)15-13-21-10-6-12-23(16-21)28-2/h6,10,12,16,20,22H,3-5,7-9,11,13-15,17-19H2,1-2H3
• InChIKey: LHDBKRWWGHMFQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)acetamide
• IUPAC Traditional name: 2-cyclopentyl-N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)acetamide
• Synonyms: 2-cyclopentyl-N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86848843
• LogD (pH = 7.4): 2.5058343
• Log P: 4.0158334
• Molar Refractivity: 116.1853 cm^3
• Polarizability: 45.365074 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.34
• LOG S: -3.98
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7