N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)cyclopent-1-ene-1-carboxamide

• ChemBase ID: 546145
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: C(=O)(N(CC1CN(CCc2cc(OC)ccc2)CCC1)CC)C1=CCCC1
• Canonical SMILES: CCN(C(=O)C1=CCCC1)CC1CCCN(C1)CCc1cccc(c1)OC
• InChI: InChI=1S/C23H34N2O2/c1-3-25(23(26)21-10-4-5-11-21)18-20-9-7-14-24(17-20)15-13-19-8-6-12-22(16-19)27-2/h6,8,10,12,16,20H,3-5,7,9,11,13-15,17-18H2,1-2H3
• InChIKey: YYLNXJMTAMAATL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)cyclopent-1-ene-1-carboxamide
• IUPAC Traditional name: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl}methyl)cyclopent-1-ene-1-carboxamide
• Synonyms: N-ethyl-N-({1-[2-(3-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-1-cyclopentene-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.51494664
• LogD (pH = 7.4): 2.1408305
• Log P: 3.6776197
• Molar Refractivity: 112.4861 cm^3
• Polarizability: 43.282467 Å^3
• Polar Surface Area: 32.78 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: 4.13
• LOG S: -3.81
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6