3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide

C13H16N4O3 — CID 82993406

IUPAC3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CC(=O)NC(=O)C2)c(N)c1
InChIInChI=1S/C13H16N4O3/c1-16(2)13(20)8-3-4-10(9(14)5-8)17-6-11(18)15-12(19)7-17/h3-5H,6-7,14H2,1-2H3,(H,15,18,19)
InChIKeyPQOJSMFTMJNOBV-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.57
Rot. Bonds2

About 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide

3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide (PubChem CID 82993406) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
PubChem CID82993406
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CC(=O)NC(=O)C2)c(N)c1
InChIInChI=1S/C13H16N4O3/c1-16(2)13(20)8-3-4-10(9(14)5-8)17-6-11(18)15-12(19)7-17/h3-5H,6-7,14H2,1-2H3,(H,15,18,19)
InChIKeyPQOJSMFTMJNOBV-UHFFFAOYSA-N
XLogP-0.57
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide
CID 82992471
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
3-amino-N,N-dimethyl-4-(1,4-thiazepan-4-yl)benzamide
CID 82993380
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194
4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide
CID 66062284
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
CID 102888377
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
4-(3,5-dioxopiperazin-1-yl)-3-fluorobenzoic acid
CID 66083166
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
3-amino-4-tert-butyl-N,N-dimethylbenzamide
CID 19348783
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide (CID 82993406) is 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CC(=O)NC(=O)C2)c(N)c1.
What is the InChIKey of 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is PQOJSMFTMJNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16(2)13(20)8-3-4-10(9(14)5-8)17-6-11(18)15-12(19)7-17/h3-5H,6-7,14H2,1-2H3,(H,15,18,19).
What are the key properties of 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide?
3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 276.30 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 82993406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).