5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one

• ChemBase ID: 322255
• Molecular Formular: C19H24ClN3O2
• Molecular Mass: 361.86576
• Monoisotopic Mass: 361.1557047
• SMILES: N1(CC(C(=O)N2CCN(c3c(Cl)cccc3)CC2)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)N1CCN(CC1)c1ccccc1Cl
• InChI: InChI=1S/C19H24ClN3O2/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)19(25)14-5-8-18(24)23(13-14)15-6-7-15/h1-4,14-15H,5-13H2
• InChIKey: VKNAYLLMRVKYDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
• IUPAC Traditional name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
• Synonyms: 5-{[4-(2-chlorophenyl)-1-piperazinyl]carbonyl}-1-cyclopropyl-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9155422
• LogD (pH = 7.4): 1.9155458
• Log P: 1.915546
• Molar Refractivity: 98.0217 cm^3
• Polarizability: 37.533905 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.6
• LOG S: -2.68
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3