3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione

C14H18N4O3 — CID 66067067

IUPAC3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C14H18N4O3/c1-3-11-13(20)16-12(19)7-18(11)14(21)9-6-8(2)4-5-10(9)17-15/h4-6,11,17H,3,7,15H2,1-2H3,(H,16,19,20)
InChIKeyHTJIYFANBMGJKC-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.16
Rot. Bonds3

About 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione

3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione (PubChem CID 66067067) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
PubChem CID66067067
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(C)ccc1NN
InChIInChI=1S/C14H18N4O3/c1-3-11-13(20)16-12(19)7-18(11)14(21)9-6-8(2)4-5-10(9)17-15/h4-6,11,17H,3,7,15H2,1-2H3,(H,16,19,20)
InChIKeyHTJIYFANBMGJKC-UHFFFAOYSA-N
XLogP0.16
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.16
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-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66062632
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
CID 66067262
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
4-(4-amino-3,5-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 82813907
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione (CID 66067067) is 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(C)ccc1NN.
What is the InChIKey of 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The InChIKey is HTJIYFANBMGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-11-13(20)16-12(19)7-18(11)14(21)9-6-8(2)4-5-10(9)17-15/h4-6,11,17H,3,7,15H2,1-2H3,(H,16,19,20).
What are the key properties of 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66067067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).