N-cycloheptylpiperidine-4-carboxamide

• ChemBase ID: 311626
• Molecular Formular: C13H24N2O
• Molecular Mass: 224.34246
• Monoisotopic Mass: 224.1888634
• SMILES: C(=O)(NC1CCCCCC1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NC1CCCCCC1
• InChI: InChI=1S/C13H24N2O/c16-13(11-7-9-14-10-8-11)15-12-5-3-1-2-4-6-12/h11-12,14H,1-10H2,(H,15,16)
• InChIKey: XKUDHOSLXFVHIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptylpiperidine-4-carboxamide
• IUPAC Traditional name: N-cycloheptylpiperidine-4-carboxamide
• Synonyms: N-cycloheptylpiperidine-4-carboxamide

Database IDs

• CAS Number: 429632-06-4
• MDL Number: MFCD02922358

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6851668
• LogD (pH = 7.4): -1.1007391
• Log P: 1.5408049
• Molar Refractivity: 65.4094 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 41.13 Å^2