N-cyclopentyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 616440
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: N1(C(C(=O)NCC1)CC(=O)NC1CCCC1)Cc1cc2c(cc1)cccc2
• Canonical SMILES: O=C(CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2)NC1CCCC1
• InChI: InChI=1S/C22H27N3O2/c26-21(24-19-7-3-4-8-19)14-20-22(27)23-11-12-25(20)15-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,9-10,13,19-20H,3-4,7-8,11-12,14-15H2,(H,23,27)(H,24,26)
• InChIKey: DQNSSSXQUKLMMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.387278
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1508212
• LogD (pH = 7.4): 2.2551045
• Log P: 2.3256989
• Molar Refractivity: 105.5468 cm^3
• Polarizability: 42.43008 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.04
• LOG S: -3.61
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5