2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-(furan-2-yl)ethyl]acetamide

• ChemBase ID: 847848
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCc1occc1)C1CCCC1
• Canonical SMILES: O=C(CC1C(=O)NCCN1C1CCCC1)NCCc1ccco1
• InChI: InChI=1S/C17H25N3O3/c21-16(18-8-7-14-6-3-11-23-14)12-15-17(22)19-9-10-20(15)13-4-1-2-5-13/h3,6,11,13,15H,1-2,4-5,7-10,12H2,(H,18,21)(H,19,22)
• InChIKey: HRGSVUADHMRTPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-(furan-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[2-(furan-2-yl)ethyl]acetamide
• Synonyms: 2-(1-cyclopentyl-3-oxo-2-piperazinyl)-N-[2-(2-furyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.776644
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5796745
• LogD (pH = 7.4): 0.07567551
• Log P: 0.45642844
• Molar Refractivity: 86.3529 cm^3
• Polarizability: 33.64231 Å^3
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.82
• LOG S: -1.25
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 6