1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one

C18H26N2O2 — CID 112534348

IUPAC1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
SMILESCN1CCC2(CC1)CCN(C(=O)CCOc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-19-11-8-18(9-12-19)10-13-20(15-18)17(21)7-14-22-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyIPYPYUGJRFVSHZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.40
Rot. Bonds4

About 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one

1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one (PubChem CID 112534348) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
PubChem CID112534348
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
SMILESCN1CCC2(CC1)CCN(C(=O)CCOc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-19-11-8-18(9-12-19)10-13-20(15-18)17(21)7-14-22-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyIPYPYUGJRFVSHZ-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97475871
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
2-[4-(hydroxymethyl)phenoxy]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 138035512
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[8-(4-phenoxybutanoyl)-2,8-diazaspiro[4.5]decan-2-yl]hex-2-yn-1-one
CID 3755325
ethyl 6-[[8-(4-phenoxybutanoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]hexanoate
CID 3459096
1-[(5R)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-phenoxypropan-1-one
CID 42358037

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one (CID 112534348) is 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one is CN1CCC2(CC1)CCN(C(=O)CCOc1ccccc1)C2.
What is the InChIKey of 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one?
The InChIKey is IPYPYUGJRFVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-11-8-18(9-12-19)10-13-20(15-18)17(21)7-14-22-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one?
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 112534348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).