1-cyclopropyl-4-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyrrolidin-2-one

• ChemBase ID: 535400
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: N1(C(=O)CC(C(=O)N2CCC(CC2)CCn2nccc2)C1)C1CC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CC1)N1CCC(CC1)CCn1cccn1
• InChI: InChI=1S/C18H26N4O2/c23-17-12-15(13-22(17)16-2-3-16)18(24)20-9-4-14(5-10-20)6-11-21-8-1-7-19-21/h1,7-8,14-16H,2-6,9-13H2
• InChIKey: UNQSDHBTLBJXCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-4-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopropyl-4-{4-[2-(pyrazol-1-yl)ethyl]piperidine-1-carbonyl}pyrrolidin-2-one
• Synonyms: 1-cyclopropyl-4-({4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1935145
• LogD (pH = 7.4): 0.19364929
• Log P: 0.19365102
• Molar Refractivity: 101.9877 cm^3
• Polarizability: 34.933167 Å^3
• Polar Surface Area: 58.44 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: 0.23
• LOG S: -3.12
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5