1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione

C15H25N3O3 — CID 79071094

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2CN3CCCC3CO2)C1=O
InChIInChI=1S/C15H25N3O3/c1-2-4-13-15(20)18(9-14(19)16-13)8-12-7-17-6-3-5-11(17)10-21-12/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyUVYHAFBHJMJYKN-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.02
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione (PubChem CID 79071094) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
PubChem CID79071094
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2CN3CCCC3CO2)C1=O
InChIInChI=1S/C15H25N3O3/c1-2-4-13-15(20)18(9-14(19)16-13)8-12-7-17-6-3-5-11(17)10-21-12/h11-13H,2-10H2,1H3,(H,16,19)
InChIKeyUVYHAFBHJMJYKN-UHFFFAOYSA-N
XLogP-0.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(methylamino)pyrrolidin-2-one
CID 79071121
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83268859
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948648
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79351163
1-(oxan-3-yl)-3-propylpiperazine-2,5-dione
CID 64971351
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-[(3-methylpiperazin-1-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79072001
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine
CID 142750888
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethanol
CID 67377936
(3R)-3-(chloromethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 138550760
1-[(1-methylcyclopentyl)methyl]-3-propylpiperazine-2,5-dione
CID 64971362
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)propane-1-sulfonamide
CID 78986312

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione (CID 79071094) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CC2CN3CCCC3CO2)C1=O.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is UVYHAFBHJMJYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-4-13-15(20)18(9-14(19)16-13)8-12-7-17-6-3-5-11(17)10-21-12/h11-13H,2-10H2,1H3,(H,16,19).
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 295.38 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 79071094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).