(5's,7's)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase ID: 220405
• Molecular Formular: C23H33N3O
• Molecular Mass: 367.52762
• Monoisotopic Mass: 367.26236269
• SMILES: C12(N3C[C@@]4(C(=O)[C@](C3)(CN1C4)CC)CC)CCN(CC2)Cc1ccccc1
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13CCN(CC1)Cc1ccccc1)CC
• InChI: InChI=1S/C23H33N3O/c1-3-21-15-25-17-22(4-2,20(21)27)18-26(16-21)23(25)10-12-24(13-11-23)14-19-8-6-5-7-9-19/h5-9H,3-4,10-18H2,1-2H3/t21-,22+
• InChIKey: IRPFSOKYMGNETM-SZPZYZBQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• IUPAC Traditional name: (5'R,7'S)-1-benzyl-5',7'-diethyl-1',3'-diazaspiro[piperidine-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one

Database IDs

• PubChem SID: 164276315
• PubChem CID: 17572217

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1001018
• LogD (pH = 7.4): 3.216935
• Log P: 4.426912
• Molar Refractivity: 109.2739 cm^3
• Polarizability: 43.394466 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds