N-[1-(1H-indol-5-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide

• ChemBase ID: 547856
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: N1(C(=O)CCCC1)CCC(=O)NC(c1cc2c([nH]cc2)cc1)C
• Canonical SMILES: O=C(NC(c1ccc2c(c1)cc[nH]2)C)CCN1CCCCC1=O
• InChI: InChI=1S/C18H23N3O2/c1-13(14-5-6-16-15(12-14)7-9-19-16)20-17(22)8-11-21-10-3-2-4-18(21)23/h5-7,9,12-13,19H,2-4,8,10-11H2,1H3,(H,20,22)
• InChIKey: CWNPBXAQAWLNPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-5-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
• IUPAC Traditional name: N-[1-(1H-indol-5-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide
• Synonyms: N-[1-(1H-indol-5-yl)ethyl]-3-(2-oxopiperidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.62882
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4601749
• LogD (pH = 7.4): 1.460175
• Log P: 1.460175
• Molar Refractivity: 89.3764 cm^3
• Polarizability: 35.631813 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.27
• LOG S: -2.57
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5