2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone

C12H22N2O2 — CID 127763978

IUPAC2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN2C)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-3-4-12(13)5-8-14(9-6-12)11(15)10-16-2/h3-10H2,1-2H3
InChIKeyXRYURKZTWVIKFH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds2

About 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone

2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 127763978) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID127763978
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN2C)CC1
InChIInChI=1S/C12H22N2O2/c1-13-7-3-4-12(13)5-8-14(9-6-12)11(15)10-16-2/h3-10H2,1-2H3
InChIKeyXRYURKZTWVIKFH-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 127763978) is 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone is COCC(=O)N1CCC2(CCCN2C)CC1.
What is the InChIKey of 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is XRYURKZTWVIKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-7-3-4-12(13)5-8-14(9-6-12)11(15)10-16-2/h3-10H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone?
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 127763978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).