1-[3-(morpholin-4-yl)propyl]-5-(4-phenylpiperazine-1-carbonyl)piperidin-2-one

• ChemBase ID: 498978
• Molecular Formular: C23H34N4O3
• Molecular Mass: 414.54106
• Monoisotopic Mass: 414.26309097
• SMILES: C(=O)(C1CN(C(=O)CC1)CCCN1CCOCC1)N1CCN(CC1)c1ccccc1
• Canonical SMILES: O=C1CCC(CN1CCCN1CCOCC1)C(=O)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C23H34N4O3/c28-22-8-7-20(19-27(22)10-4-9-24-15-17-30-18-16-24)23(29)26-13-11-25(12-14-26)21-5-2-1-3-6-21/h1-3,5-6,20H,4,7-19H2
• InChIKey: WSTHYEQSWNALMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]-5-(4-phenylpiperazine-1-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-[3-(morpholin-4-yl)propyl]-5-(4-phenylpiperazine-1-carbonyl)piperidin-2-one
• Synonyms: 1-[3-(4-morpholinyl)propyl]-5-[(4-phenyl-1-piperazinyl)carbonyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.7117375
• LogD (pH = 7.4): 0.586555
• Log P: 0.7060405
• Molar Refractivity: 117.9647 cm^3
• Polarizability: 45.231167 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.96
• LOG S: -0.44
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 6