6-benzyl-6,9-diazaspiro[4.5]decan-4-one

C15H20N2O — CID 158678480

IUPAC6-benzyl-6,9-diazaspiro[4.5]decan-4-one
SMILESO=C1CCCC12CNCCN2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c18-14-7-4-8-15(14)12-16-9-10-17(15)11-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2
InChIKeyTZNIKPUCSFIMNE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.58
Rot. Bonds2

About 6-benzyl-6,9-diazaspiro[4.5]decan-4-one

6-benzyl-6,9-diazaspiro[4.5]decan-4-one (PubChem CID 158678480) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-benzyl-6,9-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name6-benzyl-6,9-diazaspiro[4.5]decan-4-one
PubChem CID158678480
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-benzyl-6,9-diazaspiro[4.5]decan-4-one
SMILESO=C1CCCC12CNCCN2Cc1ccccc1
InChIInChI=1S/C15H20N2O/c18-14-7-4-8-15(14)12-16-9-10-17(15)11-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2
InChIKeyTZNIKPUCSFIMNE-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-6,9-diazaspiro[4.5]decan-4-one?
The IUPAC name of 6-benzyl-6,9-diazaspiro[4.5]decan-4-one (CID 158678480) is 6-benzyl-6,9-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 6-benzyl-6,9-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 6-benzyl-6,9-diazaspiro[4.5]decan-4-one is O=C1CCCC12CNCCN2Cc1ccccc1.
What is the InChIKey of 6-benzyl-6,9-diazaspiro[4.5]decan-4-one?
The InChIKey is TZNIKPUCSFIMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14-7-4-8-15(14)12-16-9-10-17(15)11-13-5-2-1-3-6-13/h1-3,5-6,16H,4,7-12H2.
What are the key properties of 6-benzyl-6,9-diazaspiro[4.5]decan-4-one?
6-benzyl-6,9-diazaspiro[4.5]decan-4-one has a molecular weight of 244.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-6,9-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 158678480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).