1-cyclopentyl-N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 450021
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: N1(CC(C(=O)NCC(O)(CC=C)CC=C)CCC1=O)C1CCCC1
• Canonical SMILES: C=CCC(CNC(=O)C1CCC(=O)N(C1)C1CCCC1)(CC=C)O
• InChI: InChI=1S/C19H30N2O3/c1-3-11-19(24,12-4-2)14-20-18(23)15-9-10-17(22)21(13-15)16-7-5-6-8-16/h3-4,15-16,24H,1-2,5-14H2,(H,20,23)
• InChIKey: OUSKKFSZVRXMPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[2-hydroxy-2-(prop-2-en-1-yl)pent-4-en-1-yl]-6-oxopiperidine-3-carboxamide
• Synonyms: N-(2-allyl-2-hydroxy-4-penten-1-yl)-1-cyclopentyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.25938
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5719781
• LogD (pH = 7.4): 1.5719784
• Log P: 1.5719786
• Molar Refractivity: 94.6611 cm^3
• Polarizability: 36.82261 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -3.49
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 8