1-cyclopentyl-4-[4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 679446
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: N1(C(=O)CC(C(=O)N2CCC(c3n(ccn3)C)CC2)C1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)N1CCC(CC1)c1nccn1C
• InChI: InChI=1S/C19H28N4O2/c1-21-11-8-20-18(21)14-6-9-22(10-7-14)19(25)15-12-17(24)23(13-15)16-4-2-3-5-16/h8,11,14-16H,2-7,9-10,12-13H2,1H3
• InChIKey: JKWLHUJBFNKOIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-cyclopentyl-4-{[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.18008743
• LogD (pH = 7.4): 0.48316962
• Log P: 0.5158031
• Molar Refractivity: 95.3577 cm^3
• Polarizability: 36.773815 Å^3
• Polar Surface Area: 58.44 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: 0.59
• LOG S: -2.22
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 3