N-cyclobutyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 384765
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1CCC(C(=O)NC2CCC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)c1nc(nc2c1CCC2)c1ccccc1)NC1CCC1
• InChI: InChI=1S/C23H28N4O/c28-23(24-18-8-4-9-18)17-12-14-27(15-13-17)22-19-10-5-11-20(19)25-21(26-22)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,24,28)
• InChIKey: PJVLDINNHFGQFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-cyclobutyl-1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-cyclobutyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.467329
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.0676847
• LogD (pH = 7.4): 4.455495
• Log P: 4.4636106
• Molar Refractivity: 122.2459 cm^3
• Polarizability: 42.758163 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.41
• LOG S: -6.15
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4