2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide

C14H18N4O3 — CID 115465647

IUPAC2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCN1CC(=O)N(Cc2ccccc2CC(=O)NN)CC1=O
InChIInChI=1S/C14H18N4O3/c1-17-8-14(21)18(9-13(17)20)7-11-5-3-2-4-10(11)6-12(19)16-15/h2-5H,6-9,15H2,1H3,(H,16,19)
InChIKeyQAUYYGOPHPEENC-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.98
Rot. Bonds4

About 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465647) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465647
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCN1CC(=O)N(Cc2ccccc2CC(=O)NN)CC1=O
InChIInChI=1S/C14H18N4O3/c1-17-8-14(21)18(9-13(17)20)7-11-5-3-2-4-10(11)6-12(19)16-15/h2-5H,6-9,15H2,1H3,(H,16,19)
InChIKeyQAUYYGOPHPEENC-UHFFFAOYSA-N
XLogP-0.98
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936217
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
methyl 2-amino-6-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]benzoate
CID 104825061
1-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79937093
2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide
CID 79941768
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
CID 115465599
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 79942412
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
1-[(4-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936216

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide (CID 115465647) is 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide is CN1CC(=O)N(Cc2ccccc2CC(=O)NN)CC1=O.
What is the InChIKey of 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is QAUYYGOPHPEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-8-14(21)18(9-13(17)20)7-11-5-3-2-4-10(11)6-12(19)16-15/h2-5H,6-9,15H2,1H3,(H,16,19).
What are the key properties of 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 290.32 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).