N-[2-(morpholin-4-yl)ethyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide

• ChemBase ID: 462155
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: C1(C(=O)NCCN1CCc1ccccc1)CC(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(CC1N(CCNC1=O)CCc1ccccc1)NCCN1CCOCC1
• InChI: InChI=1S/C20H30N4O3/c25-19(21-7-10-23-12-14-27-15-13-23)16-18-20(26)22-8-11-24(18)9-6-17-4-2-1-3-5-17/h1-5,18H,6-16H2,(H,21,25)(H,22,26)
• InChIKey: KGQJKSVZOSKNAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
• Synonyms: N-[2-(4-morpholinyl)ethyl]-2-[3-oxo-1-(2-phenylethyl)-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.281491
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.1151102
• LogD (pH = 7.4): -0.071036786
• Log P: 0.07032546
• Molar Refractivity: 104.532 cm^3
• Polarizability: 40.743874 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.87
• LOG S: 0.001
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 8