1-(2-methoxyacetyl)-N-[(1-phenylcyclohexyl)methyl]piperidine-4-carboxamide

• ChemBase ID: 393229
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)COC)CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1
• Canonical SMILES: COCC(=O)N1CCC(CC1)C(=O)NCC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C22H32N2O3/c1-27-16-20(25)24-14-10-18(11-15-24)21(26)23-17-22(12-6-3-7-13-22)19-8-4-2-5-9-19/h2,4-5,8-9,18H,3,6-7,10-17H2,1H3,(H,23,26)
• InChIKey: YRJMPWYSRRGEIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyacetyl)-N-[(1-phenylcyclohexyl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(2-methoxyacetyl)-N-[(1-phenylcyclohexyl)methyl]piperidine-4-carboxamide
• Synonyms: 1-(methoxyacetyl)-N-[(1-phenylcyclohexyl)methyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.88459
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.358874
• LogD (pH = 7.4): 2.3588746
• Log P: 2.3588746
• Molar Refractivity: 106.0516 cm^3
• Polarizability: 41.44291 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.94
• LOG S: -4.43
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6