N-[2-(morpholin-4-yl)ethyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 354518
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCN1CCOCC1)Cc1cc2c(cc1)cccc2
• Canonical SMILES: O=C(CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2)NCCN1CCOCC1
• InChI: InChI=1S/C23H30N4O3/c28-22(24-7-9-26-11-13-30-14-12-26)16-21-23(29)25-8-10-27(21)17-18-5-6-19-3-1-2-4-20(19)15-18/h1-6,15,21H,7-14,16-17H2,(H,24,28)(H,25,29)
• InChIKey: BREMGJRGSJBOFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: N-[2-(4-morpholinyl)ethyl]-2-[1-(2-naphthylmethyl)-3-oxo-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.256826
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2646976
• LogD (pH = 7.4): 0.6614182
• Log P: 0.771141
• Molar Refractivity: 116.2272 cm^3
• Polarizability: 46.4745 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.67
• LOG S: -0.51
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 7