N-[(1R,2S)-2-phenylcyclohexyl]-2-(piperidin-4-yl)acetamide

• ChemBase ID: 823295
• Molecular Formular: C19H28N2O
• Molecular Mass: 300.43842
• Monoisotopic Mass: 300.22016353
• SMILES: N(C(=O)CC1CCNCC1)[C@H]1[C@H](c2ccccc2)CCCC1
• Canonical SMILES: O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)CC1CCNCC1
• InChI: InChI=1S/C19H28N2O/c22-19(14-15-10-12-20-13-11-15)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,20H,4-5,8-14H2,(H,21,22)/t17-,18+/m0/s1
• InChIKey: WMVMKISKQGFIHU-ZWKOTPCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2S)-2-phenylcyclohexyl]-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N-[(1R,2S)-2-phenylcyclohexyl]-2-(piperidin-4-yl)acetamide
• Synonyms: N-[(1R*,2S*)-2-phenylcyclohexyl]-2-piperidin-4-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.062857
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.43778104
• LogD (pH = 7.4): 0.2278005
• Log P: 2.7836144
• Molar Refractivity: 89.9501 cm^3
• Polarizability: 35.563465 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.49
• LOG S: -4.37
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4