1,4-diacetyl-3-methylidenepiperazine-2,5-dione

C9H10N2O4 — CID 15228669

IUPAC1,4-diacetyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)CC(=O)N1C(C)=O
InChIInChI=1S/C9H10N2O4/c1-5-9(15)10(6(2)12)4-8(14)11(5)7(3)13/h1,4H2,2-3H3
InChIKeyGVKONJUFKSBXDL-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.74
Rot. Bonds

About 1,4-diacetyl-3-methylidenepiperazine-2,5-dione

1,4-diacetyl-3-methylidenepiperazine-2,5-dione (PubChem CID 15228669) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1,4-diacetyl-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-diacetyl-3-methylidenepiperazine-2,5-dione
PubChem CID15228669
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1,4-diacetyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)CC(=O)N1C(C)=O
InChIInChI=1S/C9H10N2O4/c1-5-9(15)10(6(2)12)4-8(14)11(5)7(3)13/h1,4H2,2-3H3
InChIKeyGVKONJUFKSBXDL-UHFFFAOYSA-N
XLogP-0.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 123951722
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
4-(2-Fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051122
4-(3-Fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051128
1-(2-Fluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528278
1-(3-Fluoropropyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528285
(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
CID 10680630
(3E)-1-acetyl-3-ethylidenepiperazine-2,5-dione
CID 15176646
1-Acetyl-3-methylene-4-methylpiperazine-2,5-dione
CID 15326349
2-(4-Methylpiperazin-1-yl)prop-2-enamide
CID 22120233
1,4-Dimethyl-3-methylidenepiperazin-2-one
CID 58748682
6-Methylidene-1-propan-2-ylpiperazine-2,5-dione
CID 69578376

Frequently Asked Questions

What is the IUPAC name of 1,4-diacetyl-3-methylidenepiperazine-2,5-dione?
The IUPAC name of 1,4-diacetyl-3-methylidenepiperazine-2,5-dione (CID 15228669) is 1,4-diacetyl-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 1,4-diacetyl-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for 1,4-diacetyl-3-methylidenepiperazine-2,5-dione is C=C1C(=O)N(C(C)=O)CC(=O)N1C(C)=O.
What is the InChIKey of 1,4-diacetyl-3-methylidenepiperazine-2,5-dione?
The InChIKey is GVKONJUFKSBXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5-9(15)10(6(2)12)4-8(14)11(5)7(3)13/h1,4H2,2-3H3.
What are the key properties of 1,4-diacetyl-3-methylidenepiperazine-2,5-dione?
1,4-diacetyl-3-methylidenepiperazine-2,5-dione has a molecular weight of 210.19 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diacetyl-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 15228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).