2-(1-ethylpiperidin-4-yl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide

• ChemBase ID: 539532
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1(cccc1)CCNC(=O)CC1CCN(CC1)CC
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCCn1cccc1
• InChI: InChI=1S/C15H25N3O/c1-2-17-10-5-14(6-11-17)13-15(19)16-7-12-18-8-3-4-9-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,16,19)
• InChIKey: YYERUKASPWHDOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[2-(pyrrol-1-yl)ethyl]acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.239191
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8937035
• LogD (pH = 7.4): -0.32344827
• Log P: 1.3307041
• Molar Refractivity: 78.1571 cm^3
• Polarizability: 30.299599 Å^3
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.5
• LOG S: -2.4
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 6