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

• ChemBase ID: 220211
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: C12(N3C[C@@]4(C(=O)[C@](C3)(CN1C4)C)C)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C
• InChI: InChI=1S/C15H25N3O/c1-13-8-17-10-14(2,12(13)19)11-18(9-13)15(17)4-6-16(3)7-5-15/h4-11H2,1-3H3/t13-,14+
• InChIKey: DOHGRDTUPJLBFR-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276121
• PubChem CID: 3537772

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2916219
• LogD (pH = 7.4): 0.72983384
• Log P: 1.8133012
• Molar Refractivity: 75.4593 cm^3
• Polarizability: 30.094368 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds