4-[4-(5-chloropyridin-2-yl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one

• ChemBase ID: 491599
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: N1(C(=O)CC(C(=O)N2CCN(c3ncc(cc3)Cl)CC2)C1)C1CCCC1
• Canonical SMILES: Clc1ccc(nc1)N1CCN(CC1)C(=O)C1CC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C19H25ClN4O2/c20-15-5-6-17(21-12-15)22-7-9-23(10-8-22)19(26)14-11-18(25)24(13-14)16-3-1-2-4-16/h5-6,12,14,16H,1-4,7-11,13H2
• InChIKey: AWAIIQLVIWJZST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(5-chloropyridin-2-yl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
• IUPAC Traditional name: 4-[4-(5-chloropyridin-2-yl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
• Synonyms: 4-{[4-(5-chloro-2-pyridinyl)-1-piperazinyl]carbonyl}-1-cyclopentyl-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7046878
• LogD (pH = 7.4): 1.7364779
• Log P: 1.7368997
• Molar Refractivity: 100.7793 cm^3
• Polarizability: 38.498734 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.71
• LOG S: -3.41
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 3