1-cyclopentyl-N-methyl-6-oxo-N-(quinolin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 444798
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: N1(CC(C(=O)N(Cc2nc3c(cc2)cccc3)C)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(N(Cc1ccc2c(n1)cccc2)C)C1CCC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C22H27N3O2/c1-24(15-18-12-10-16-6-2-5-9-20(16)23-18)22(27)17-11-13-21(26)25(14-17)19-7-3-4-8-19/h2,5-6,9-10,12,17,19H,3-4,7-8,11,13-15H2,1H3
• InChIKey: SUGWSRFHTMALCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-methyl-6-oxo-N-(quinolin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-methyl-6-oxo-N-(quinolin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-methyl-6-oxo-N-(2-quinolinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4214227
• LogD (pH = 7.4): 2.4259405
• Log P: 2.4259984
• Molar Refractivity: 103.882 cm^3
• Polarizability: 41.846928 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.42
• LOG S: -3.46
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4