4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione

C13H16N4O3 — CID 66076244

IUPAC4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCc1cc(C(=O)N2CC(=O)NC(=O)C2C)ccc1NN
InChIInChI=1S/C13H16N4O3/c1-7-5-9(3-4-10(7)16-14)13(20)17-6-11(18)15-12(19)8(17)2/h3-5,8,16H,6,14H2,1-2H3,(H,15,18,19)
InChIKeyIAKWWVGYXZLMMH-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.23
Rot. Bonds2

About 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione

4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66076244) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
PubChem CID66076244
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
SMILESCc1cc(C(=O)N2CC(=O)NC(=O)C2C)ccc1NN
InChIInChI=1S/C13H16N4O3/c1-7-5-9(3-4-10(7)16-14)13(20)17-6-11(18)15-12(19)8(17)2/h3-5,8,16H,6,14H2,1-2H3,(H,15,18,19)
InChIKeyIAKWWVGYXZLMMH-UHFFFAOYSA-N
XLogP-0.23
TPSA104.53 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 ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
3-methyl-4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712524
3-(2-methyl-3,5-dioxopiperazine-1-carbonyl)benzenecarbothioamide
CID 66075045
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314
4-(4-bromo-2-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66063304
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
(4-hydrazinyl-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596631

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione (CID 66076244) is 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione is Cc1cc(C(=O)N2CC(=O)NC(=O)C2C)ccc1NN.
What is the InChIKey of 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is IAKWWVGYXZLMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-5-9(3-4-10(7)16-14)13(20)17-6-11(18)15-12(19)8(17)2/h3-5,8,16H,6,14H2,1-2H3,(H,15,18,19).
What are the key properties of 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione?
4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66076244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).