N-[1-(hydroxymethyl)cyclopentyl]-4-(quinolin-6-yloxy)piperidine-4-carboxamide

• ChemBase ID: 741583
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: C(=O)(C1(Oc2cc3c(nccc3)cc2)CCNCC1)NC1(CO)CCCC1
• Canonical SMILES: OCC1(CCCC1)NC(=O)C1(CCNCC1)Oc1ccc2c(c1)cccn2
• InChI: InChI=1S/C21H27N3O3/c25-15-20(7-1-2-8-20)24-19(26)21(9-12-22-13-10-21)27-17-5-6-18-16(14-17)4-3-11-23-18/h3-6,11,14,22,25H,1-2,7-10,12-13,15H2,(H,24,26)
• InChIKey: FWNFGWMKGRCRKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(hydroxymethyl)cyclopentyl]-4-(quinolin-6-yloxy)piperidine-4-carboxamide
• IUPAC Traditional name: N-[1-(hydroxymethyl)cyclopentyl]-4-(quinolin-6-yloxy)piperidine-4-carboxamide
• Synonyms: N-[1-(hydroxymethyl)cyclopentyl]-4-(quinolin-6-yloxy)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.077078
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.9097728
• LogD (pH = 7.4): -0.8488423
• Log P: 1.3282199
• Molar Refractivity: 102.0373 cm^3
• Polarizability: 41.61236 Å^3
• Polar Surface Area: 83.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.73
• LOG S: -3.37
• Polar Surface Area: 83.48 Å^2
• Rotatable Bonds: 5