5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide

C11H20N4O3 — CID 4739854

IUPAC5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C11H20N4O3/c1-9(16)14-5-7-15(8-6-14)11(18)4-2-3-10(17)13-12/h2-8,12H2,1H3,(H,13,17)
InChIKeyIKDHETUKGFVYET-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.16
Rot. Bonds4

About 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide

5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide (PubChem CID 4739854) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide
PubChem CID4739854
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C11H20N4O3/c1-9(16)14-5-7-15(8-6-14)11(18)4-2-3-10(17)13-12/h2-8,12H2,1H3,(H,13,17)
InChIKeyIKDHETUKGFVYET-UHFFFAOYSA-N
XLogP-1.16
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.16
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

5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanehydrazide
CID 63584826
N-(4-methylpiperazin-1-yl)pentanamide
CID 5147663
2-(2-Oxopiperidin-1-yl)acetohydrazide
CID 13150938
3-(2,6-Dioxopiperidin-1-yl)propanehydrazide
CID 23136080
N'-(2-piperazin-1-ylacetyl)pentanehydrazide
CID 91186033
N'-(2-piperidin-1-ylacetyl)pentanehydrazide
CID 91481211
N'-methyl-2-(2-oxopiperidin-1-yl)acetohydrazide
CID 117801694
N-(2-Oxo-1-piperidinyl)acetamide
CID 127013701
1-[2-(Methylamino)propanoyl]diazinane-3-carboxamide
CID 134235312
5-(4-Formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide
CID 134268874
1-Acetylpiperidine-2-carbohydrazide;ethane
CID 144674853
1-Acetylpiperidine-2-carbohydrazide;ethane
CID 144674875

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide (CID 4739854) is 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide is CC(=O)N1CCN(C(=O)CCCC(=O)NN)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide?
The InChIKey is IKDHETUKGFVYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-9(16)14-5-7-15(8-6-14)11(18)4-2-3-10(17)13-12/h2-8,12H2,1H3,(H,13,17).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide?
5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide has a molecular weight of 256.31 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-5-oxopentanehydrazide is sourced from PubChem (CID 4739854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).