N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 690876
• Molecular Formular: C20H33N5O
• Molecular Mass: 359.50892
• Monoisotopic Mass: 359.2685107
• SMILES: C(=O)(N(C1CC1)Cc1cn(nc1)C)C1CN(C2CCN(CC2)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)N(C1CC1)Cc1cnn(c1)C
• InChI: InChI=1S/C20H33N5O/c1-22-10-7-18(8-11-22)24-9-3-4-17(15-24)20(26)25(19-5-6-19)14-16-12-21-23(2)13-16/h12-13,17-19H,3-11,14-15H2,1-2H3
• InChIKey: DRPWMDRVLHDBEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.434999
• LogD (pH = 7.4): -2.1191745
• Log P: 0.70430094
• Molar Refractivity: 116.0099 cm^3
• Polarizability: 40.43367 Å^3
• Polar Surface Area: 44.61 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: 0.58
• LOG S: -2.32
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5