1-(morpholin-4-yl)-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-3-yl]propan-1-one

• ChemBase ID: 478250
• Molecular Formular: C25H36N2O3
• Molecular Mass: 412.56494
• Monoisotopic Mass: 412.27259302
• SMILES: C(=O)(N1CC(CCC(=O)N2CCOCC2)CCC1)C1(c2ccccc2)CCCCC1
• Canonical SMILES: O=C(N1CCOCC1)CCC1CCCN(C1)C(=O)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C25H36N2O3/c28-23(26-16-18-30-19-17-26)12-11-21-8-7-15-27(20-21)24(29)25(13-5-2-6-14-25)22-9-3-1-4-10-22/h1,3-4,9-10,21H,2,5-8,11-20H2
• InChIKey: JCGAWZUGWDTAJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-3-yl]propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-3-yl]propan-1-one
• Synonyms: 4-(3-{1-[(1-phenylcyclohexyl)carbonyl]-3-piperidinyl}propanoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.426526
• LogD (pH = 7.4): 3.426528
• Log P: 3.426528
• Molar Refractivity: 118.2286 cm^3
• Polarizability: 46.23767 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.75
• LOG S: -3.4
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5