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

• ChemBase ID: 539493
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: N1(C(=O)CCN2CCOCC2)CC(C(=O)c2c3c(ccc2)cccc3)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)c1cccc2c1cccc2)CCN1CCOCC1
• InChI: InChI=1S/C23H28N2O3/c26-22(10-12-24-13-15-28-16-14-24)25-11-4-7-19(17-25)23(27)21-9-3-6-18-5-1-2-8-20(18)21/h1-3,5-6,8-9,19H,4,7,10-17H2
• InChIKey: PFXMWZDJYDPSGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)-1-[3-(naphthalene-1-carbonyl)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-(morpholin-4-yl)-1-[3-(naphthalene-1-carbonyl)piperidin-1-yl]propan-1-one
• Synonyms: {1-[3-(4-morpholinyl)propanoyl]-3-piperidinyl}(1-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.181055
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3175746
• LogD (pH = 7.4): 2.255054
• Log P: 2.2998085
• Molar Refractivity: 109.9574 cm^3
• Polarizability: 43.809338 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: 4
• H Donor: 0
• Log P: 3.3
• LOG S: -1.54
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5