1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone

C13H22N2O5 — CID 172884531

IUPAC1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCOC2(CN(C(C)=O)CCCO2)C1
InChIInChI=1S/C13H22N2O5/c1-11(16)14-4-3-6-19-13(9-14)10-15(5-7-20-13)12(17)8-18-2/h3-10H2,1-2H3
InChIKeyYIBRPACMVJKIQX-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.54
Rot. Bonds2

About 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone

1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone (PubChem CID 172884531) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone
PubChem CID172884531
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCOC2(CN(C(C)=O)CCCO2)C1
InChIInChI=1S/C13H22N2O5/c1-11(16)14-4-3-6-19-13(9-14)10-15(5-7-20-13)12(17)8-18-2/h3-10H2,1-2H3
InChIKeyYIBRPACMVJKIQX-UHFFFAOYSA-N
XLogP-0.54
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone?
The IUPAC name of 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone (CID 172884531) is 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone?
The canonical SMILES for 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone is COCC(=O)N1CCOC2(CN(C(C)=O)CCCO2)C1.
What is the InChIKey of 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone?
The InChIKey is YIBRPACMVJKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-11(16)14-4-3-6-19-13(9-14)10-15(5-7-20-13)12(17)8-18-2/h3-10H2,1-2H3.
What are the key properties of 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone?
1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone has a molecular weight of 286.33 g/mol, XLogP of -0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone is sourced from PubChem (CID 172884531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).