6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione

C21H28N2O2 — CID 64885843

IUPAC6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1C(C2CCCCC2)NC(=O)C2(CCCC2)N1Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c24-19-18(17-11-5-2-6-12-17)22-20(25)21(13-7-8-14-21)23(19)15-16-9-3-1-4-10-16/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25)
InChIKeyIIBXBFRQCVNREC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.41
Rot. Bonds3

About 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885843) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885843
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1C(C2CCCCC2)NC(=O)C2(CCCC2)N1Cc1ccccc1
InChIInChI=1S/C21H28N2O2/c24-19-18(17-11-5-2-6-12-17)22-20(25)21(13-7-8-14-21)23(19)15-16-9-3-1-4-10-16/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25)
InChIKeyIIBXBFRQCVNREC-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885843) is 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1C(C2CCCCC2)NC(=O)C2(CCCC2)N1Cc1ccccc1.
What is the InChIKey of 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is IIBXBFRQCVNREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-19-18(17-11-5-2-6-12-17)22-20(25)21(13-7-8-14-21)23(19)15-16-9-3-1-4-10-16/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,22,25).
What are the key properties of 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 340.47 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-cyclohexyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).