N-cyclopropyl-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 326851
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: c1(C(=O)N2CCC(N3CC(C(=O)NC4CC4)CCC3)CC2)n(ncc1)C
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1ccnn1C)NC1CC1
• InChI: InChI=1S/C19H29N5O2/c1-22-17(6-9-20-22)19(26)23-11-7-16(8-12-23)24-10-2-3-14(13-24)18(25)21-15-4-5-15/h6,9,14-16H,2-5,7-8,10-13H2,1H3,(H,21,25)
• InChIKey: DEQCPZOZXWVQGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.624044
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.611015
• LogD (pH = 7.4): -2.2779953
• Log P: -0.24277836
• Molar Refractivity: 111.3198 cm^3
• Polarizability: 38.093155 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.58
• LOG S: -1.78
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4