N-cyclohexyl-4-[(1-hydroxypropan-2-yl)amino]piperidine-1-carboxamide

• ChemBase ID: 686867
• Molecular Formular: C15H29N3O2
• Molecular Mass: 283.40966
• Monoisotopic Mass: 283.22597718
• SMILES: C(=O)(N1CCC(NC(CO)C)CC1)NC1CCCCC1
• Canonical SMILES: OCC(NC1CCN(CC1)C(=O)NC1CCCCC1)C
• InChI: InChI=1S/C15H29N3O2/c1-12(11-19)16-14-7-9-18(10-8-14)15(20)17-13-5-3-2-4-6-13/h12-14,16,19H,2-11H2,1H3,(H,17,20)
• InChIKey: JRHNJHULBRTRDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-[(1-hydroxypropan-2-yl)amino]piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-4-[(1-hydroxypropan-2-yl)amino]piperidine-1-carboxamide
• Synonyms: N-cyclohexyl-4-[(2-hydroxy-1-methylethyl)amino]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.998838
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.7395887
• LogD (pH = 7.4): -1.999181
• Log P: 0.47669607
• Molar Refractivity: 79.7144 cm^3
• Polarizability: 31.394104 Å^3
• Polar Surface Area: 64.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.81
• LOG S: -1.96
• Polar Surface Area: 64.6 Å^2
• Rotatable Bonds: 4