4-[2-(piperidine-1-carbonyl)phenoxy]-1-[4-(1H-pyrazol-1-yl)butan-2-yl]piperidine

• ChemBase ID: 750514
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: C(=O)(c1c(OC2CCN(CC2)C(CCn2nccc2)C)cccc1)N1CCCCC1
• Canonical SMILES: CC(N1CCC(CC1)Oc1ccccc1C(=O)N1CCCCC1)CCn1cccn1
• InChI: InChI=1S/C24H34N4O2/c1-20(10-19-28-16-7-13-25-28)26-17-11-21(12-18-26)30-23-9-4-3-8-22(23)24(29)27-14-5-2-6-15-27/h3-4,7-9,13,16,20-21H,2,5-6,10-12,14-15,17-19H2,1H3
• InChIKey: WVFTXZBLNXCOBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidine-1-carbonyl)phenoxy]-1-[4-(1H-pyrazol-1-yl)butan-2-yl]piperidine
• IUPAC Traditional name: 4-[2-(piperidine-1-carbonyl)phenoxy]-1-[4-(pyrazol-1-yl)butan-2-yl]piperidine
• Synonyms: 1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-4-[2-(1-piperidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5579757
• LogD (pH = 7.4): 0.9779632
• Log P: 2.6968548
• Molar Refractivity: 131.2627 cm^3
• Polarizability: 46.010395 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.87
• LOG S: -4.33
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7