9-pentyl-3-(piperidine-1-carbonyl)-9H-carbazole

• ChemBase ID: 128639
• Molecular Formular: C23H28N2O
• Molecular Mass: 348.48122
• Monoisotopic Mass: 348.22016353
• SMILES: c1cccc2c1n(CCCCC)c1ccc(cc21)C(=O)N1CCCCC1
• Canonical SMILES: CCCCCn1c2ccc(cc2c2c1cccc2)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H28N2O/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3
• InChIKey: NZEVKZAEMSMLMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-pentyl-3-(piperidine-1-carbonyl)-9H-carbazole
• IUPAC Traditional name: 9-pentyl-3-(piperidine-1-carbonyl)carbazole
• Synonyms: NMP-7

Database IDs

• PubChem SID: 162222946
• PubChem CID: 46871949
• Chemspider ID: 27470961
• Wikipedia Title: NMP-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.231387
• LogD (pH = 7.4): 5.231388
• Log P: 5.231388
• Molar Refractivity: 107.8573 cm^3
• Polarizability: 43.599133 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false