4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione

C13H15N3O3 — CID 66084706

IUPAC4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
SMILESCN(C)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)16-7-11(17)14-12(18)8-16/h3-6H,7-8H2,1-2H3,(H,14,17,18)
InChIKeyFBBSLGMMPYVRGJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.15
Rot. Bonds2

About 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione

4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione (PubChem CID 66084706) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
PubChem CID66084706
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
SMILESCN(C)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)16-7-11(17)14-12(18)8-16/h3-6H,7-8H2,1-2H3,(H,14,17,18)
InChIKeyFBBSLGMMPYVRGJ-UHFFFAOYSA-N
XLogP-0.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66085493
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
CID 66061853
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 66084325
4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
CID 66084335
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione?
The IUPAC name of 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione (CID 66084706) is 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione?
The canonical SMILES for 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione is CN(C)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione?
The InChIKey is FBBSLGMMPYVRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)16-7-11(17)14-12(18)8-16/h3-6H,7-8H2,1-2H3,(H,14,17,18).
What are the key properties of 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione?
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione has a molecular weight of 261.28 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione is sourced from PubChem (CID 66084706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).