1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone

C20H34N2O3 — CID 91910537

IUPAC1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C20H34N2O3/c1-16(23)22-13-18(14-25-2)20(15-22)8-10-21(11-9-20)19(24)12-17-6-4-3-5-7-17/h17-18H,3-15H2,1-2H3
InChIKeyBSXBTJMFIQNOQA-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone

1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (PubChem CID 91910537) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
PubChem CID91910537
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C20H34N2O3/c1-16(23)22-13-18(14-25-2)20(15-22)8-10-21(11-9-20)19(24)12-17-6-4-3-5-7-17/h17-18H,3-15H2,1-2H3
InChIKeyBSXBTJMFIQNOQA-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-1-(3-(methoxymethyl)piperidin-1-yl)propan-1-one
CID 52992865
3-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150835
2-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 53150837
1-[8-(Cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 87054545
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-2-cyclopentyl-1-ethanone
CID 91910569
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-3-cyclopentylpropan-1-one
CID 91922339
2-(cyclohexylcarbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924889
2-(2-cyclohexylacetyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924897
1-[2-Acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
CID 91925011
1-[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-2-cyclohexylethan-1-one
CID 124074617
2-Cyclohexyl-1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 132334816
[(4R)-2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-cyclopentylmethanone
CID 164638779

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (CID 91910537) is 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone is COCC1CN(C(C)=O)CC12CCN(C(=O)CC1CCCCC1)CC2.
What is the InChIKey of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The InChIKey is BSXBTJMFIQNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-16(23)22-13-18(14-25-2)20(15-22)8-10-21(11-9-20)19(24)12-17-6-4-3-5-7-17/h17-18H,3-15H2,1-2H3.
What are the key properties of 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone has a molecular weight of 350.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone is sourced from PubChem (CID 91910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).