1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone

C15H26N2O3 — CID 63876565

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCOC2CCCCC21
InChIInChI=1S/C15H26N2O3/c18-15(11-20-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h12-14,16H,1-11H2
InChIKeySGZTWRNAUWVAMP-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.93
Rot. Bonds3

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone (PubChem CID 63876565) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone
PubChem CID63876565
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCOC2CCCCC21
InChIInChI=1S/C15H26N2O3/c18-15(11-20-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h12-14,16H,1-11H2
InChIKeySGZTWRNAUWVAMP-UHFFFAOYSA-N
XLogP0.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119733999
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(2-aminoethoxy)ethanone
CID 79473416
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-chloroethanone
CID 51889854
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211780
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(2-aminoethoxy)ethanone
CID 79479749
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyrrolidin-2-ylethanone
CID 61365248
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985
1-(2-methylmorpholin-4-yl)-2-piperidin-4-yloxyethanone
CID 63877566
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
CID 63876352
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-aminophenyl)ethanone;hydrochloride
CID 119733972
2-piperidin-4-yloxy-1-(2-propylpiperidin-1-yl)ethanone
CID 83052721
4-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 61344253

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone (CID 63876565) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone is O=C(COC1CCNCC1)N1CCOC2CCCCC21.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is SGZTWRNAUWVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-15(11-20-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h12-14,16H,1-11H2.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 282.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 63876565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).