1-cyclopropyl-4-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyrrolidin-2-one

• ChemBase ID: 848629
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: N1(C(=O)CC(C(=O)N2CCC(CC2)Oc2cnccc2)C1)C1CC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C18H23N3O3/c22-17-10-13(12-21(17)14-3-4-14)18(23)20-8-5-15(6-9-20)24-16-2-1-7-19-11-16/h1-2,7,11,13-15H,3-6,8-10,12H2
• InChIKey: BBWJLSHAEFJQOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopropyl-4-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyrrolidin-2-one
• Synonyms: 1-cyclopropyl-4-{[4-(3-pyridinyloxy)-1-piperidinyl]carbonyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.50500983
• LogD (pH = 7.4): -0.43771607
• Log P: -0.4367684
• Molar Refractivity: 87.8946 cm^3
• Polarizability: 34.30752 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.45
• LOG S: -1.99
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4