3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione

C17H26N4O3 — CID 134580084

IUPAC3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione
SMILESC=C/C=C(\[C@H]1CCN(C2CCC(=O)NC2=O)CO1)N1CCNCC1
InChIInChI=1S/C17H26N4O3/c1-2-3-13(20-10-7-18-8-11-20)15-6-9-21(12-24-15)14-4-5-16(22)19-17(14)23/h2-3,14-15,18H,1,4-12H2,(H,19,22,23)/b13-3+/t14?,15-/m1/s1
InChIKeyVIBUSEOEESLYRY-VRLPNJQTSA-N
MW334.42 g/mol
LogP-0.18
Rot. Bonds4

About 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione

3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione (PubChem CID 134580084) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione
PubChem CID134580084
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione
SMILESC=C/C=C(\[C@H]1CCN(C2CCC(=O)NC2=O)CO1)N1CCNCC1
InChIInChI=1S/C17H26N4O3/c1-2-3-13(20-10-7-18-8-11-20)15-6-9-21(12-24-15)14-4-5-16(22)19-17(14)23/h2-3,14-15,18H,1,4-12H2,(H,19,22,23)/b13-3+/t14?,15-/m1/s1
InChIKeyVIBUSEOEESLYRY-VRLPNJQTSA-N
XLogP-0.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
CID 177057043
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
3-[3-methyl-2,5-dioxo-4-[(1E)-2-piperazin-1-ylbuta-1,3-dienyl]pyrrol-1-yl]piperidine-2,6-dione
CID 170190228
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156795515
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 151819661
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
3-[(1E)-1-(methylideneamino)buta-1,3-dienyl]sulfanylpiperidine-2,6-dione
CID 142623303
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
3-(3-methylpiperidin-1-yl)piperidine-2,6-dione
CID 170639071
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione (CID 134580084) is 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione is C=C/C=C(\[C@H]1CCN(C2CCC(=O)NC2=O)CO1)N1CCNCC1.
What is the InChIKey of 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione?
The InChIKey is VIBUSEOEESLYRY-VRLPNJQTSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-3-13(20-10-7-18-8-11-20)15-6-9-21(12-24-15)14-4-5-16(22)19-17(14)23/h2-3,14-15,18H,1,4-12H2,(H,19,22,23)/b13-3+/t14?,15-/m1/s1.
What are the key properties of 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione?
3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione has a molecular weight of 334.42 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-6-[(1E)-1-piperazin-1-ylbuta-1,3-dienyl]-1,3-oxazinan-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 134580084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).