1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone

C17H23NO — CID 63158848

IUPAC1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C17H23NO/c1-14(19)15-4-6-16(7-5-15)18-12-10-17(11-13-18)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyOFOWYJHWJBVSCS-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.05
Rot. Bonds2

About 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone

1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone (PubChem CID 63158848) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
PubChem CID63158848
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C17H23NO/c1-14(19)15-4-6-16(7-5-15)18-12-10-17(11-13-18)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyOFOWYJHWJBVSCS-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
4-(4,4-dimethylpiperidin-1-yl)benzoic acid;ethane
CID 143852634

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone (CID 63158848) is 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC3(CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone?
The InChIKey is OFOWYJHWJBVSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14(19)15-4-6-16(7-5-15)18-12-10-17(11-13-18)8-2-3-9-17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone?
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone has a molecular weight of 257.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone is sourced from PubChem (CID 63158848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).