4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide

C11H19N5O2 — CID 4740709

IUPAC4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESN#CCCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H19N5O2/c12-4-1-5-15-6-8-16(9-7-15)11(18)3-2-10(17)14-13/h1-3,5-9,13H2,(H,14,17)
InChIKeyDXFAFINAAKUDEJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.19
Rot. Bonds5

About 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide

4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide (PubChem CID 4740709) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
PubChem CID4740709
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
SMILESN#CCCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H19N5O2/c12-4-1-5-15-6-8-16(9-7-15)11(18)3-2-10(17)14-13/h1-3,5-9,13H2,(H,14,17)
InChIKeyDXFAFINAAKUDEJ-UHFFFAOYSA-N
XLogP-1.19
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.19
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

N'-[2-(3,6-dioxodiazinan-1-yl)ethyl]acetohydrazide;ethane
CID 143571906
N'-(4-methylpiperazin-1-yl)butanediamide
CID 154962784
3-[4-(2-Cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 2757961
4-(4-Hydrazinyl-4-oxobutanoyl)piperazine-1-carboxamide
CID 2759287
4-[4-(2-Methylpropyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 2759390
4-Oxo-4-piperazin-1-ylbutanehydrazide
CID 2760266
4-(4-Acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853
4-Oxo-4-(4-propan-2-ylpiperazin-1-yl)butanehydrazide
CID 4740438
4-(4-Butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4740449
4-(4-Cyclopentylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4740462
5-[4-(2-Cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4740710
4-(4-Methylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4740807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide?
The IUPAC name of 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide (CID 4740709) is 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide.
What is the SMILES notation for 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide?
The canonical SMILES for 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide is N#CCCN1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide?
The InChIKey is DXFAFINAAKUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-4-1-5-15-6-8-16(9-7-15)11(18)3-2-10(17)14-13/h1-3,5-9,13H2,(H,14,17).
What are the key properties of 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide?
4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide has a molecular weight of 253.31 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide is sourced from PubChem (CID 4740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).