3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione

C15H23N3O2 — CID 177338862

IUPAC3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
SMILESC/C=C1C(=C/CC)\N(C2CCC(=O)NC2=O)CCN\1C
InChIInChI=1S/C15H23N3O2/c1-4-6-12-11(5-2)17(3)9-10-18(12)13-7-8-14(19)16-15(13)20/h5-6,13H,4,7-10H2,1-3H3,(H,16,19,20)/b11-5+,12-6+
InChIKeyOBBJIRHKNIBYKP-YDWXAUTNSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds2

About 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione

3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione (PubChem CID 177338862) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
PubChem CID177338862
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
SMILESC/C=C1C(=C/CC)\N(C2CCC(=O)NC2=O)CCN\1C
InChIInChI=1S/C15H23N3O2/c1-4-6-12-11(5-2)17(3)9-10-18(12)13-7-8-14(19)16-15(13)20/h5-6,13H,4,7-10H2,1-3H3,(H,16,19,20)/b11-5+,12-6+
InChIKeyOBBJIRHKNIBYKP-YDWXAUTNSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
CID 163963632
ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 177009783
3-[(4E,5E)-5-ethylidene-2-methyl-6-oxo-4-propylidenepyrimidin-1-yl]piperidine-2,6-dione
CID 177318647
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156712076

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione (CID 177338862) is 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione is C/C=C1C(=C/CC)\N(C2CCC(=O)NC2=O)CCN\1C.
What is the InChIKey of 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione?
The InChIKey is OBBJIRHKNIBYKP-YDWXAUTNSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-6-12-11(5-2)17(3)9-10-18(12)13-7-8-14(19)16-15(13)20/h5-6,13H,4,7-10H2,1-3H3,(H,16,19,20)/b11-5+,12-6+.
What are the key properties of 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione?
3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione has a molecular weight of 277.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177338862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).