N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(piperazin-1-yl)acetamide

• ChemBase ID: 28482
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CN1CCNCC1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CN1CCNCC1)c[nH]2
• InChI: InChI=1S/C17H24N4O2/c1-23-14-2-3-16-15(10-14)13(11-20-16)4-5-19-17(22)12-21-8-6-18-7-9-21/h2-3,10-11,18,20H,4-9,12H2,1H3,(H,19,22)
• InChIKey: WSAXYDDBRZVMGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(piperazin-1-yl)acetamide
• Synonyms: N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-2-piperazin-1-ylacetamide

Database IDs

• MDL Number: MFCD09972010
• PubChem SID: 160991789
• PubChem CID: 17221295

CALCULATED PROPERTIES

• Log P: 0.5031829
• Molar Refractivity: 90.4643 cm^3
• Polarizability: 36.317486 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.597289
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5231729
• LogD (pH = 7.4): -1.0212903

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false