1-cyclopentyl-5-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-2-one

• ChemBase ID: 362049
• Molecular Formular: C21H27FN2O3
• Molecular Mass: 374.4490832
• Monoisotopic Mass: 374.20057095
• SMILES: N1(C(=O)C2CN(C(=O)CC2)C2CCCC2)CC(C1)OCc1c(F)cccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)N1CC(C1)OCc1ccccc1F
• InChI: InChI=1S/C21H27FN2O3/c22-19-8-4-1-5-16(19)14-27-18-12-23(13-18)21(26)15-9-10-20(25)24(11-15)17-6-2-3-7-17/h1,4-5,8,15,17-18H,2-3,6-7,9-14H2
• InChIKey: LQRNYJSSGVBOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-5-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-5-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-2-one
• Synonyms: 1-cyclopentyl-5-({3-[(2-fluorobenzyl)oxy]-1-azetidinyl}carbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.17084
• LogD (pH = 7.4): 2.1708405
• Log P: 2.1708405
• Molar Refractivity: 99.444 cm^3
• Polarizability: 38.56596 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.45
• LOG S: -4.02
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5