5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide

C10H18N4O3 — CID 55213300

IUPAC5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
SMILESCN1CCN(CCCCC(=O)NN)C(=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-13-6-7-14(10(17)9(13)16)5-3-2-4-8(15)12-11/h2-7,11H2,1H3,(H,12,15)
InChIKeyIORLZPLKMJRTJX-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.55
Rot. Bonds5

About 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide

5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide (PubChem CID 55213300) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
PubChem CID55213300
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
SMILESCN1CCN(CCCCC(=O)NN)C(=O)C1=O
InChIInChI=1S/C10H18N4O3/c1-13-6-7-14(10(17)9(13)16)5-3-2-4-8(15)12-11/h2-7,11H2,1H3,(H,12,15)
InChIKeyIORLZPLKMJRTJX-UHFFFAOYSA-N
XLogP-1.55
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methyl-2-oxoimidazolidin-1-yl)butanehydrazide
CID 63577277
1-(4-aminobutyl)-4-methylpiperazine-2,3-dione
CID 62927891
5-(4-methyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 64693968
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052
4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)hexanehydrazide
CID 102892888
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
hexanedihydrazide;pentanedihydrazide
CID 157195533
4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 63572222
1-methyl-3-(5-oxohexyl)imidazolidin-2-one
CID 62491497
methyl 2-bromo-3-(4-methyl-2,3-dioxopiperazin-1-yl)propanoate
CID 81100055

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The IUPAC name of 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide (CID 55213300) is 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide is CN1CCN(CCCCC(=O)NN)C(=O)C1=O.
What is the InChIKey of 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
The InChIKey is IORLZPLKMJRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-13-6-7-14(10(17)9(13)16)5-3-2-4-8(15)12-11/h2-7,11H2,1H3,(H,12,15).
What are the key properties of 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide?
5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide has a molecular weight of 242.28 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 55213300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).