3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide

C11H22N4O2 — CID 79628344

IUPAC3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(=O)N1CCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(16)15-6-4-14(5-7-15)8-11(2,3)10(17)13-12/h4-8,12H2,1-3H3,(H,13,17)
InChIKeyBTICTJZNTVCMCV-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.83
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide

3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79628344) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79628344
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(=O)N1CCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(16)15-6-4-14(5-7-15)8-11(2,3)10(17)13-12/h4-8,12H2,1-3H3,(H,13,17)
InChIKeyBTICTJZNTVCMCV-UHFFFAOYSA-N
XLogP-0.83
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.83
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

3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
CID 130913539
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylpiperidine-4-carboxamide
CID 79631814
2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
CID 79630412
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
1-[4-(3-bromo-2,2-dimethylpropyl)piperazin-1-yl]ethanone
CID 65000467
3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630790

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide (CID 79628344) is 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide is CC(=O)N1CCN(CC(C)(C)C(=O)NN)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is BTICTJZNTVCMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(16)15-6-4-14(5-7-15)8-11(2,3)10(17)13-12/h4-8,12H2,1-3H3,(H,13,17).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide?
3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 242.32 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79628344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).