(5's,7's)-7'-methyl-5'-phenyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase ID: 214321
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C4(N(C1)C3)CCCC4)C2)C)c1ccccc1
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@]1(CN(C2)C13CCCC1)c1ccccc1
• InChI: InChI=1S/C19H24N2O/c1-17-11-20-13-18(16(17)22,15-7-3-2-4-8-15)14-21(12-17)19(20)9-5-6-10-19/h2-4,7-8H,5-6,9-14H2,1H3/t17-,18+
• InChIKey: LSTKLLCPVKPLCF-HDICACEKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270231
• PubChem CID: 2986207

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.9848977
• LogD (pH = 7.4): 3.2791598
• Log P: 3.3969111
• Molar Refractivity: 87.5644 cm^3
• Polarizability: 34.49038 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds