2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide

C10H20N4O3 — CID 103229435

IUPAC2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O3/c1-8(15)13-3-5-14(6-4-13)9(7-17-2)10(16)12-11/h9H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyZAPNOTVEJVPODC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.84
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide

2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide (PubChem CID 103229435) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
PubChem CID103229435
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N4O3/c1-8(15)13-3-5-14(6-4-13)9(7-17-2)10(16)12-11/h9H,3-7,11H2,1-2H3,(H,12,16)
InChIKeyZAPNOTVEJVPODC-UHFFFAOYSA-N
XLogP-1.84
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
2-(4-acetylpiperazin-1-yl)butanehydrazide
CID 63568814
3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 103229575
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714
2-(4-acetylpiperazin-1-yl)pentanehydrazide
CID 83047028
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457
3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
CID 103229454
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide (CID 103229435) is 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide is COCC(C(=O)NN)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide?
The InChIKey is ZAPNOTVEJVPODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-8(15)13-3-5-14(6-4-13)9(7-17-2)10(16)12-11/h9H,3-7,11H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide?
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide has a molecular weight of 244.29 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).