1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one

C21H32N2O — CID 118662309

IUPAC1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C21H32N2O/c1-4-8-19(24)23-16-15-20(17-23)11-13-21(14-12-20,22(2)3)18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeyXEFUCVUEFXVJSU-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.04
Rot. Bonds4

About 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one

1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 118662309) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID118662309
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1
InChIInChI=1S/C21H32N2O/c1-4-8-19(24)23-16-15-20(17-23)11-13-21(14-12-20,22(2)3)18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeyXEFUCVUEFXVJSU-UHFFFAOYSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[8-(Dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl]cyclobutane-1-carbonitrile
CID 118662189
2-Cyclobutyl-1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]ethanone
CID 118662460
Spiro-carboxamide scaffold, 12
CID 44143298
1-Benzyl-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 3727246
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
8-(1-Phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414717
Rac-8-[1-(4-fluoro-phenyl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414876
1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-one
CID 44454720
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
8-Dimethylamino-8-phenyl-2-azaspiro[4.5]decan-3-one
CID 118662014
8-Benzyl-2-butyl-8-(dimethylamino)-2-azaspiro[4.5]decan-1-one
CID 118662129

Frequently Asked Questions

What is the IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 118662309) is 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one is CCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1.
What is the InChIKey of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The InChIKey is XEFUCVUEFXVJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-4-8-19(24)23-16-15-20(17-23)11-13-21(14-12-20,22(2)3)18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3.
What are the key properties of 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one?
1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 328.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(dimethylamino)-8-phenyl-2-azaspiro[4.5]decan-2-yl]butan-1-one is sourced from PubChem (CID 118662309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).