[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

C18H30N4O3 — CID 131669189

IUPAC[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCCOCC1CCN(C)C2(C1)CN(C(=O)c1ccn(CCOC)n1)C2
InChIInChI=1S/C18H30N4O3/c1-4-25-12-15-5-7-20(2)18(11-15)13-21(14-18)17(23)16-6-8-22(19-16)9-10-24-3/h6,8,15H,4-5,7,9-14H2,1-3H3
InChIKeyCAPDWVBBPOYSHI-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.10
Rot. Bonds7

About [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (PubChem CID 131669189) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
PubChem CID131669189
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCCOCC1CCN(C)C2(C1)CN(C(=O)c1ccn(CCOC)n1)C2
InChIInChI=1S/C18H30N4O3/c1-4-25-12-15-5-7-20(2)18(11-15)13-21(14-18)17(23)16-6-8-22(19-16)9-10-24-3/h6,8,15H,4-5,7,9-14H2,1-3H3
InChIKeyCAPDWVBBPOYSHI-UHFFFAOYSA-N
XLogP1.10
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyrazin-2-ylmethanone
CID 131671724
(1-methylpyrazol-3-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133141638
[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
cyclopenten-1-yl-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131648301
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
CID 131671735
[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 124819424
1-[8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]butan-1-one
CID 131671710
2-[(3,5-dimethoxyphenyl)methyl]-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677402
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334

Frequently Asked Questions

What is the IUPAC name of [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The IUPAC name of [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (CID 131669189) is [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is CCOCC1CCN(C)C2(C1)CN(C(=O)c1ccn(CCOC)n1)C2.
What is the InChIKey of [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The InChIKey is CAPDWVBBPOYSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-25-12-15-5-7-20(2)18(11-15)13-21(14-18)17(23)16-6-8-22(19-16)9-10-24-3/h6,8,15H,4-5,7,9-14H2,1-3H3.
What are the key properties of [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 131669189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).