5-oxo-5-piperazin-1-ylpentanehydrazide

C9H18N4O2 — CID 2760267

IUPAC5-oxo-5-piperazin-1-ylpentanehydrazide
SMILESNNC(=O)CCCC(=O)N1CCNCC1
InChIInChI=1S/C9H18N4O2/c10-12-8(14)2-1-3-9(15)13-6-4-11-5-7-13/h11H,1-7,10H2,(H,12,14)
InChIKeyXFYBCNPBMZGBGT-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.42
Rot. Bonds4

About 5-oxo-5-piperazin-1-ylpentanehydrazide

5-oxo-5-piperazin-1-ylpentanehydrazide (PubChem CID 2760267) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-oxo-5-piperazin-1-ylpentanehydrazide.

Molecular Properties

Compound Name5-oxo-5-piperazin-1-ylpentanehydrazide
PubChem CID2760267
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name5-oxo-5-piperazin-1-ylpentanehydrazide
SMILESNNC(=O)CCCC(=O)N1CCNCC1
InChIInChI=1S/C9H18N4O2/c10-12-8(14)2-1-3-9(15)13-6-4-11-5-7-13/h11H,1-7,10H2,(H,12,14)
InChIKeyXFYBCNPBMZGBGT-UHFFFAOYSA-N
XLogP-1.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
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

1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 2759311
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4741180
4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-piperazin-1-ylpentanehydrazide?
The IUPAC name of 5-oxo-5-piperazin-1-ylpentanehydrazide (CID 2760267) is 5-oxo-5-piperazin-1-ylpentanehydrazide.
What is the SMILES notation for 5-oxo-5-piperazin-1-ylpentanehydrazide?
The canonical SMILES for 5-oxo-5-piperazin-1-ylpentanehydrazide is NNC(=O)CCCC(=O)N1CCNCC1.
What is the InChIKey of 5-oxo-5-piperazin-1-ylpentanehydrazide?
The InChIKey is XFYBCNPBMZGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-12-8(14)2-1-3-9(15)13-6-4-11-5-7-13/h11H,1-7,10H2,(H,12,14).
What are the key properties of 5-oxo-5-piperazin-1-ylpentanehydrazide?
5-oxo-5-piperazin-1-ylpentanehydrazide has a molecular weight of 214.27 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-piperazin-1-ylpentanehydrazide is sourced from PubChem (CID 2760267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).