1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one

C17H23NO — CID 172837508

IUPAC1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
SMILESCC(c1ccccc1)N1CCC(=O)C12CCCCC2
InChIInChI=1S/C17H23NO/c1-14(15-8-4-2-5-9-15)18-13-10-16(19)17(18)11-6-3-7-12-17/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyKTPAAGCQGBOOEV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.73
Rot. Bonds2

About 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one

1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one (PubChem CID 172837508) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
PubChem CID172837508
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one
SMILESCC(c1ccccc1)N1CCC(=O)C12CCCCC2
InChIInChI=1S/C17H23NO/c1-14(15-8-4-2-5-9-15)18-13-10-16(19)17(18)11-6-3-7-12-17/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyKTPAAGCQGBOOEV-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-1-azaspiro[4.5]decan-4-one;hydrochloride
CID 70273507
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911
CID 10495563
CID 10495563
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
(1R,5S)-1-methyl-2-[(1R)-1-phenylethyl]-2-azabicyclo[3.1.0]hexane
CID 102053741
1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
2,2-dimethyl-1-(1-phenylethyl)-1,5-diazocane
CID 117014797
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
2-methyl-1-(1-phenylethyl)pyrrolidine-2-carbonitrile
CID 78011341
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one?
The IUPAC name of 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one (CID 172837508) is 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one is CC(c1ccccc1)N1CCC(=O)C12CCCCC2.
What is the InChIKey of 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one?
The InChIKey is KTPAAGCQGBOOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14(15-8-4-2-5-9-15)18-13-10-16(19)17(18)11-6-3-7-12-17/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one?
1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one has a molecular weight of 257.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-1-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 172837508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).