4-(1H-indol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 253291
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: c1(c[nH]c2c1cccc2)C1CCN(C(=O)N)CC1
• Canonical SMILES: NC(=O)N1CCC(CC1)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C14H17N3O/c15-14(18)17-7-5-10(6-8-17)12-9-16-13-4-2-1-3-11(12)13/h1-4,9-10,16H,5-8H2,(H2,15,18)
• InChIKey: GFAZTOFKUDWLFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-indol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-(1H-indol-3-yl)piperidine-1-carboxamide
• Synonyms: 4-(1H-indol-3-yl)piperidine-1-carboxamide

Database IDs

• MDL Number: MFCD09040425
• PubChem SID: 164309201
• PubChem CID: 16227737

CALCULATED PROPERTIES

• Acid pKa: 15.828924
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.4534694
• LogD (pH = 7.4): 1.4534695
• Log P: 1.4534695
• Molar Refractivity: 70.8081 cm^3
• Polarizability: 28.205282 Å^3
• Polar Surface Area: 62.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.603

Product Information

• Purity: 95%