8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one

C17H24N2O — CID 118662014

IUPAC8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H24N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h3-7H,8-13H2,1-2H3,(H,18,20)
InChIKeyCSDSAUVYXSMGEB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.52
Rot. Bonds2

About 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one

8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one (PubChem CID 118662014) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
PubChem CID118662014
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H24N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h3-7H,8-13H2,1-2H3,(H,18,20)
InChIKeyCSDSAUVYXSMGEB-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one (CID 118662014) is 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one is CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is CSDSAUVYXSMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h3-7H,8-13H2,1-2H3,(H,18,20).
What are the key properties of 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one?
8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 272.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118662014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).