1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

C15H27N3O2 — CID 80550016

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC2CCCC21)N1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-15(2,17-8-6-16-7-9-17)14(19)18-10-11-20-13-5-3-4-12(13)18/h12-13,16H,3-11H2,1-2H3
InChIKeyUMLBGBHVGQPSGA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.45
Rot. Bonds2

About 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 80550016) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID80550016
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC2CCCC21)N1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-15(2,17-8-6-16-7-9-17)14(19)18-10-11-20-13-5-3-4-12(13)18/h12-13,16H,3-11H2,1-2H3
InChIKeyUMLBGBHVGQPSGA-UHFFFAOYSA-N
XLogP0.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one (CID 80550016) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is CC(C)(C(=O)N1CCOC2CCCC21)N1CCNCC1.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is UMLBGBHVGQPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,17-8-6-16-7-9-17)14(19)18-10-11-20-13-5-3-4-12(13)18/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 80550016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).