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

C12H22N2O2 — CID 90488135

IUPAC1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-10(15)14-7-11(8-16-2)12(9-14)3-5-13-6-4-12/h11,13H,3-9H2,1-2H3
InChIKeyMEXWNUOCKSAKQQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds2

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

1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 90488135) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID90488135
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCNCC2
InChIInChI=1S/C12H22N2O2/c1-10(15)14-7-11(8-16-2)12(9-14)3-5-13-6-4-12/h11,13H,3-9H2,1-2H3
InChIKeyMEXWNUOCKSAKQQ-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 90488135) is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCNCC2.
What is the InChIKey of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is MEXWNUOCKSAKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(15)14-7-11(8-16-2)12(9-14)3-5-13-6-4-12/h11,13H,3-9H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 90488135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).