N-cyclopropyl-1-{1-[2-methyl-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 320160
• Molecular Formular: C24H37N5O2
• Molecular Mass: 427.58288
• Monoisotopic Mass: 427.29472545
• SMILES: c1(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)nc(nc(c1)CC(C)C)C
• Canonical SMILES: CC(Cc1nc(C)nc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)C(=O)NC1CC1)C
• InChI: InChI=1S/C24H37N5O2/c1-16(2)14-20-15-22(26-17(3)25-20)24(31)29-12-8-21(9-13-29)28-10-6-18(7-11-28)23(30)27-19-4-5-19/h15-16,18-19,21H,4-14H2,1-3H3,(H,27,30)
• InChIKey: USGGSLGRVVDJRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-{1-[2-methyl-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-{1-[2-methyl-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-cyclopropyl-1'-[(6-isobutyl-2-methyl-4-pyrimidinyl)carbonyl]-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.890258
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6153234
• LogD (pH = 7.4): -0.033102114
• Log P: 1.7401724
• Molar Refractivity: 121.9776 cm^3
• Polarizability: 46.769703 Å^3
• Polar Surface Area: 78.43 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 1
• Log P: 0.12
• LOG S: -4.53
• Polar Surface Area: 78.43 Å^2