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

• ChemBase ID: 219858
• Molecular Formular: C21H29N3O
• Molecular Mass: 339.47446
• Monoisotopic Mass: 339.23106256
• SMILES: C12(N3C[C@@]4(C(=O)[C@](C3)(CN1C4)C)C)CCN(CC2)Cc1ccccc1
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C21H29N3O/c1-19-13-23-15-20(2,18(19)25)16-24(14-19)21(23)8-10-22(11-9-21)12-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3/t19-,20+
• InChIKey: PMJGSYLWLYABGD-BGYRXZFFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275768
• PubChem CID: 1280292

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.38502026
• LogD (pH = 7.4): 2.3541079
• Log P: 3.5377743
• Molar Refractivity: 100.0719 cm^3
• Polarizability: 39.70414 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds