2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide

• ChemBase ID: 337995
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCCOc1cnccc1)C1CCCC1
• Canonical SMILES: O=C(CC1C(=O)NCCN1C1CCCC1)NCCCOc1cccnc1
• InChI: InChI=1S/C19H28N4O3/c24-18(21-9-4-12-26-16-7-3-8-20-14-16)13-17-19(25)22-10-11-23(17)15-5-1-2-6-15/h3,7-8,14-15,17H,1-2,4-6,9-13H2,(H,21,24)(H,22,25)
• InChIKey: GBCWSUOLFSXGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide
• IUPAC Traditional name: 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide
• Synonyms: 2-(1-cyclopentyl-3-oxo-2-piperazinyl)-N-[3-(3-pyridinyloxy)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.110687
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.0078793
• LogD (pH = 7.4): -0.2835943
• Log P: 0.09808585
• Molar Refractivity: 97.7447 cm^3
• Polarizability: 38.393307 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.11
• LOG S: -1.42
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 8