4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide

C10H18N4O3 — CID 4739853

IUPAC4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C10H18N4O3/c1-8(15)13-4-6-14(7-5-13)10(17)3-2-9(16)12-11/h2-7,11H2,1H3,(H,12,16)
InChIKeyYAAQTYOCXDSVPL-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.55
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide

4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide (PubChem CID 4739853) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
PubChem CID4739853
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C10H18N4O3/c1-8(15)13-4-6-14(7-5-13)10(17)3-2-9(16)12-11/h2-7,11H2,1H3,(H,12,16)
InChIKeyYAAQTYOCXDSVPL-UHFFFAOYSA-N
XLogP-1.55
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 4740709
[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]azanium
CID 7023643
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 2759311
5-oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
1-(4-acetylpiperazin-1-yl)-3-bromopropan-1-one;bromomethane
CID 143056300
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
CID 4740634
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
butanedihydrazide;hydrochloride
CID 54607274
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide (CID 4739853) is 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide is CC(=O)N1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide?
The InChIKey is YAAQTYOCXDSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-8(15)13-4-6-14(7-5-13)10(17)3-2-9(16)12-11/h2-7,11H2,1H3,(H,12,16).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide?
4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide has a molecular weight of 242.28 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide is sourced from PubChem (CID 4739853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).