N-(1-{1-[1-(4-methylphenyl)piperidin-4-yl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopropanecarboxamide

• ChemBase ID: 726320
• Molecular Formular: C24H33N5O
• Molecular Mass: 407.55172
• Monoisotopic Mass: 407.2685107
• SMILES: c1(n(ncc1)C1CCN(C2CCN(c3ccc(cc3)C)CC2)CC1)NC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)C1CCN(CC1)c1ccc(cc1)C
• InChI: InChI=1S/C24H33N5O/c1-18-2-6-20(7-3-18)27-14-9-21(10-15-27)28-16-11-22(12-17-28)29-23(8-13-25-29)26-24(30)19-4-5-19/h2-3,6-8,13,19,21-22H,4-5,9-12,14-17H2,1H3,(H,26,30)
• InChIKey: MATGDJFCJIKFAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[1-(4-methylphenyl)piperidin-4-yl]piperidin-4-yl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(2-{1-[1-(4-methylphenyl)piperidin-4-yl]piperidin-4-yl}pyrazol-3-yl)cyclopropanecarboxamide
• Synonyms: N-{1-[1'-(4-methylphenyl)-1,4'-bipiperidin-4-yl]-1H-pyrazol-5-yl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441457
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.42129254
• LogD (pH = 7.4): 0.9402292
• Log P: 2.9660573
• Molar Refractivity: 132.9188 cm^3
• Polarizability: 45.876007 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -6.69
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 5