N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide

• ChemBase ID: 35402
• Molecular Formular: C10H21N3O2
• Molecular Mass: 215.29264
• Monoisotopic Mass: 215.16337693
• SMILES: N1(CC(=O)NCCCOC)CCNCC1
• Canonical SMILES: COCCCNC(=O)CN1CCNCC1
• InChI: InChI=1S/C10H21N3O2/c1-15-8-2-3-12-10(14)9-13-6-4-11-5-7-13/h11H,2-9H2,1H3,(H,12,14)
• InChIKey: NYDJHEJJJKWIMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide
• Synonyms: N-(3-Methoxypropyl)-2-piperazin-1-ylacetamide

Database IDs

• MDL Number: MFCD07348601
• PubChem SID: 160998709
• PubChem CID: 7131189

CALCULATED PROPERTIES

• Acid pKa: 15.853582
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.464181
• LogD (pH = 7.4): -2.962334
• Log P: -1.4380579
• Molar Refractivity: 59.4559 cm^3
• Polarizability: 23.382973 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.415

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%