3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide

C13H16N4O3 — CID 115935224

IUPAC3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide
SMILESCC1(C)C(=O)NC(=O)CN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H16N4O3/c1-13(2)12(20)16-9(18)6-17(13)10-7(11(15)19)4-3-5-8(10)14/h3-5H,6,14H2,1-2H3,(H2,15,19)(H,16,18,20)
InChIKeyMTJJZEHIELZHLM-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.39
Rot. Bonds2

About 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide

3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide (PubChem CID 115935224) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide
PubChem CID115935224
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide
SMILESCC1(C)C(=O)NC(=O)CN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C13H16N4O3/c1-13(2)12(20)16-9(18)6-17(13)10-7(11(15)19)4-3-5-8(10)14/h3-5H,6,14H2,1-2H3,(H2,15,19)(H,16,18,20)
InChIKeyMTJJZEHIELZHLM-UHFFFAOYSA-N
XLogP-0.39
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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

methyl 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzoate
CID 115935223
2-amino-3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115546460
4-(3-amino-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 115930586
methyl 3-amino-2-(2,2-dimethyl-3-oxopiperazin-1-yl)benzoate
CID 115935018
3-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 112579159
4-(2-amino-3-fluorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66069985
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-5-fluorobenzenecarbothioamide
CID 66075019
2-amino-3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzenesulfonamide
CID 115992828
3-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112578514
3-amino-2-(2-ethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115935225
3-chloro-4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzenecarbothioamide
CID 66075030

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide?
The IUPAC name of 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide (CID 115935224) is 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide is CC1(C)C(=O)NC(=O)CN1c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide?
The InChIKey is MTJJZEHIELZHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-13(2)12(20)16-9(18)6-17(13)10-7(11(15)19)4-3-5-8(10)14/h3-5H,6,14H2,1-2H3,(H2,15,19)(H,16,18,20).
What are the key properties of 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide?
3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide has a molecular weight of 276.30 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzamide is sourced from PubChem (CID 115935224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).