1-(3-cyclopentylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

• ChemBase ID: 609019
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: C(=O)(Nc1cc(c2[nH]ncc2)ccc1)C1CCN(CC1)CCCC1CCCC1
• Canonical SMILES: O=C(C1CCN(CC1)CCCC1CCCC1)Nc1cccc(c1)c1ccn[nH]1
• InChI: InChI=1S/C23H32N4O/c28-23(25-21-9-3-8-20(17-21)22-10-13-24-26-22)19-11-15-27(16-12-19)14-4-7-18-5-1-2-6-18/h3,8-10,13,17-19H,1-2,4-7,11-12,14-16H2,(H,24,26)(H,25,28)
• InChIKey: VUMKHVNFGJOGND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-cyclopentylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(3-cyclopentylpropyl)-N-[3-(2H-pyrazol-3-yl)phenyl]piperidine-4-carboxamide
• Synonyms: 1-(3-cyclopentylpropyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.935635
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6741531
• LogD (pH = 7.4): 1.9873565
• Log P: 4.0498905
• Molar Refractivity: 115.7714 cm^3
• Polarizability: 45.159443 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.55
• LOG S: -5.62
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 7