N-(cyclopropylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide

• ChemBase ID: 782879
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: C1(C(=O)NCCN1CCCc1ccccc1)CC(=O)NCC1CC1
• Canonical SMILES: O=C(CC1N(CCCc2ccccc2)CCNC1=O)NCC1CC1
• InChI: InChI=1S/C19H27N3O2/c23-18(21-14-16-8-9-16)13-17-19(24)20-10-12-22(17)11-4-7-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,20,24)(H,21,23)
• InChIKey: JNGAYWQFIQEVDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
• Synonyms: N-(cyclopropylmethyl)-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.391163
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.09240747
• LogD (pH = 7.4): 1.3249708
• Log P: 1.4953274
• Molar Refractivity: 93.9814 cm^3
• Polarizability: 36.67742 Å^3
• Polar Surface Area: 61.44 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: 1.09
• LOG S: -2.53
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 8