3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide

C10H17N5O2 — CID 2757961

IUPAC3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESN#CCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C10H17N5O2/c11-2-1-3-14-4-6-15(7-5-14)10(17)8-9(16)13-12/h1,3-8,12H2,(H,13,16)
InChIKeyAILSZEBOPNGPGT-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.58
Rot. Bonds4

About 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide

3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide (PubChem CID 2757961) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide
PubChem CID2757961
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide
SMILESN#CCCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C10H17N5O2/c11-2-1-3-14-4-6-15(7-5-14)10(17)8-9(16)13-12/h1,3-8,12H2,(H,13,16)
InChIKeyAILSZEBOPNGPGT-UHFFFAOYSA-N
XLogP-1.58
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide?
The IUPAC name of 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide (CID 2757961) is 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide.
What is the SMILES notation for 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide?
The canonical SMILES for 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide is N#CCCN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide?
The InChIKey is AILSZEBOPNGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-2-1-3-14-4-6-15(7-5-14)10(17)8-9(16)13-12/h1,3-8,12H2,(H,13,16).
What are the key properties of 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide?
3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide has a molecular weight of 239.28 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyanoethyl)piperazin-1-yl]-3-oxopropanehydrazide is sourced from PubChem (CID 2757961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).