1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

C22H32N2O5 — CID 3812253

IUPAC1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1
InChIInChI=1S/C22H32N2O5/c1-27-12-13-29-16-21(26)24-11-8-22(17-24)6-9-23(10-7-22)20(25)15-18-4-3-5-19(14-18)28-2/h3-5,14H,6-13,15-17H2,1-2H3
InChIKeyYFFWYNGYPIIIET-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.74
Rot. Bonds8

About 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 3812253) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID3812253
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCCOCC(=O)N1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1
InChIInChI=1S/C22H32N2O5/c1-27-12-13-29-16-21(26)24-11-8-22(17-24)6-9-23(10-7-22)20(25)15-18-4-3-5-19(14-18)28-2/h3-5,14H,6-13,15-17H2,1-2H3
InChIKeyYFFWYNGYPIIIET-UHFFFAOYSA-N
XLogP1.74
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
2-(3-methoxyphenyl)-1-[2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 3800921
4-[6-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-6-oxohexyl]-5-methylimidazolidin-2-one
CID 3855246
3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 3507631
1-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 3600409
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97418511
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (CID 3812253) is 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is COCCOCC(=O)N1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is YFFWYNGYPIIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-27-12-13-29-16-21(26)24-11-8-22(17-24)6-9-23(10-7-22)20(25)15-18-4-3-5-19(14-18)28-2/h3-5,14H,6-13,15-17H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 404.51 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 3812253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).