3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane

C18H28N4O2 — CID 177240351

IUPAC3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane
SMILESC=c1/c(=C\C=C(C)C)c(NC2CCC(=O)NC2=O)nn1C.CCC
InChIInChI=1S/C15H20N4O2.C3H8/c1-9(2)5-6-11-10(3)19(4)18-14(11)16-12-7-8-13(20)17-15(12)21;1-3-2/h5-6,12H,3,7-8H2,1-2,4H3,(H,16,18)(H,17,20,21);3H2,1-2H3/b11-6+;
InChIKeyYNYMZDRWGVRLON-ICSBZGNSSA-N
MW332.45 g/mol
LogP1.21
Rot. Bonds3

About 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane

3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane (PubChem CID 177240351) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane.

Molecular Properties

Compound Name3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane
PubChem CID177240351
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane
SMILESC=c1/c(=C\C=C(C)C)c(NC2CCC(=O)NC2=O)nn1C.CCC
InChIInChI=1S/C15H20N4O2.C3H8/c1-9(2)5-6-11-10(3)19(4)18-14(11)16-12-7-8-13(20)17-15(12)21;1-3-2/h5-6,12H,3,7-8H2,1-2,4H3,(H,16,18)(H,17,20,21);3H2,1-2H3/b11-6+;
InChIKeyYNYMZDRWGVRLON-ICSBZGNSSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
CID 177240385
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80977980
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
CID 155207749
4-[(2,6-dioxopiperidin-3-yl)amino]-2-methylbut-2-enoic acid
CID 103255547
3-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-2,6-dione
CID 80833133
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
CID 166865158
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991

Frequently Asked Questions

What is the IUPAC name of 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane?
The IUPAC name of 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane (CID 177240351) is 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane.
What is the SMILES notation for 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane?
The canonical SMILES for 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane is C=c1/c(=C\C=C(C)C)c(NC2CCC(=O)NC2=O)nn1C.CCC.
What is the InChIKey of 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane?
The InChIKey is YNYMZDRWGVRLON-ICSBZGNSSA-N. The full InChI is InChI=1S/C15H20N4O2.C3H8/c1-9(2)5-6-11-10(3)19(4)18-14(11)16-12-7-8-13(20)17-15(12)21;1-3-2/h5-6,12H,3,7-8H2,1-2,4H3,(H,16,18)(H,17,20,21);3H2,1-2H3/b11-6+;.
What are the key properties of 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane?
3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane has a molecular weight of 332.45 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4E)-1-methyl-4-(3-methylbut-2-enylidene)-5-methylidenepyrazol-3-yl]amino]piperidine-2,6-dione;propane is sourced from PubChem (CID 177240351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).