1-cyclopropyl-N-methyl-6-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide

• ChemBase ID: 517782
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: N1(CC(C(=O)N(Cc2ccc(n3nccc3)cc2)C)CCC1=O)C1CC1
• Canonical SMILES: O=C(N(Cc1ccc(cc1)n1cccn1)C)C1CCC(=O)N(C1)C1CC1
• InChI: InChI=1S/C20H24N4O2/c1-22(13-15-3-6-18(7-4-15)24-12-2-11-21-24)20(26)16-5-10-19(25)23(14-16)17-8-9-17/h2-4,6-7,11-12,16-17H,5,8-10,13-14H2,1H3
• InChIKey: UDMHRMZMAWTVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-methyl-6-oxo-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-methyl-6-oxo-N-{[4-(pyrazol-1-yl)phenyl]methyl}piperidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-methyl-6-oxo-N-[4-(1H-pyrazol-1-yl)benzyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3834957
• LogD (pH = 7.4): 1.3835523
• Log P: 1.383553
• Molar Refractivity: 99.6426 cm^3
• Polarizability: 38.61651 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: 4
• H Donor: 0
• Log P: 1.47
• LOG S: -2.81
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5