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

C14H18N4O3 — CID 66062284

IUPAC4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide
SMILESCC1C(=O)NC(=O)CN1c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H18N4O3/c1-8-13(20)16-12(19)7-18(8)11-6-9(4-5-10(11)15)14(21)17(2)3/h4-6,8H,7,15H2,1-3H3,(H,16,19,20)
InChIKeyNJZSZDJQIOLNQT-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.18
Rot. Bonds2

About 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide

4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide (PubChem CID 66062284) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide
PubChem CID66062284
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide
SMILESCC1C(=O)NC(=O)CN1c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H18N4O3/c1-8-13(20)16-12(19)7-18(8)11-6-9(4-5-10(11)15)14(21)17(2)3/h4-6,8H,7,15H2,1-3H3,(H,16,19,20)
InChIKeyNJZSZDJQIOLNQT-UHFFFAOYSA-N
XLogP-0.18
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.18
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-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
CID 82993406
4-(4-acetyl-2-fluorophenyl)-3-methylpiperazine-2,6-dione
CID 66062919
3-(2-methyl-3,5-dioxopiperazin-1-yl)-4-nitrobenzoic acid
CID 82769905
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-(5,6-diamino-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 79827948
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
CID 102888377
4-(4-acetyl-2-nitrophenyl)-3-methylpiperazine-2,6-dione
CID 66063313
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide (CID 66062284) is 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide is CC1C(=O)NC(=O)CN1c1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide?
The InChIKey is NJZSZDJQIOLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-13(20)16-12(19)7-18(8)11-6-9(4-5-10(11)15)14(21)17(2)3/h4-6,8H,7,15H2,1-3H3,(H,16,19,20).
What are the key properties of 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide?
4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide has a molecular weight of 290.32 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)benzamide is sourced from PubChem (CID 66062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).