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

• ChemBase ID: 690458
• Molecular Formular: C22H34N2O2
• Molecular Mass: 358.51756
• Monoisotopic Mass: 358.26202834
• SMILES: C(=O)(N(CC1CN(CCc2c(OC)cccc2)CCC1)C)C1CCCC1
• Canonical SMILES: COc1ccccc1CCN1CCCC(C1)CN(C(=O)C1CCCC1)C
• InChI: InChI=1S/C22H34N2O2/c1-23(22(25)20-10-3-4-11-20)16-18-8-7-14-24(17-18)15-13-19-9-5-6-12-21(19)26-2/h5-6,9,12,18,20H,3-4,7-8,10-11,13-17H2,1-2H3
• InChIKey: ZRMXNCDUEQLSBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.29944602
• LogD (pH = 7.4): 1.9187684
• Log P: 3.470424
• Molar Refractivity: 106.8616 cm^3
• Polarizability: 41.677437 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.17
• LOG S: -3.29
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6