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

• ChemBase ID: 366156
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1CCC(C(=O)N(C(C)C)C)CC1
• Canonical SMILES: CC(N(C(=O)C1CCN(CC1)c1nc(nc2c1CCC2)c1ccccc1)C)C
• InChI: InChI=1S/C23H30N4O/c1-16(2)26(3)23(28)18-12-14-27(15-13-18)22-19-10-7-11-20(19)24-21(25-22)17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3
• InChIKey: INQODGGRQSTVDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.207193
• LogD (pH = 7.4): 4.5953326
• Log P: 4.6034527
• Molar Refractivity: 124.4978 cm^3
• Polarizability: 43.491093 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.61
• LOG S: -5.62
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3