N-ethyl-6-oxo-1-(3-phenylpropyl)-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 325355
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: C1(C(=O)N(CCn2nccc2)CC)CN(C(=O)CC1)CCCc1ccccc1
• Canonical SMILES: CCN(C(=O)C1CCC(=O)N(C1)CCCc1ccccc1)CCn1cccn1
• InChI: InChI=1S/C22H30N4O2/c1-2-24(16-17-26-15-7-13-23-26)22(28)20-11-12-21(27)25(18-20)14-6-10-19-8-4-3-5-9-19/h3-5,7-9,13,15,20H,2,6,10-12,14,16-18H2,1H3
• InChIKey: FQKLDVNXLGUHBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-oxo-1-(3-phenylpropyl)-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-ethyl-6-oxo-1-(3-phenylpropyl)-N-[2-(pyrazol-1-yl)ethyl]piperidine-3-carboxamide
• Synonyms: N-ethyl-6-oxo-1-(3-phenylpropyl)-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1516557
• LogD (pH = 7.4): 2.151787
• Log P: 2.1517887
• Molar Refractivity: 121.1667 cm^3
• Polarizability: 42.358128 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.87
• LOG S: -3.26
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 8