5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide

C12H21N5O2 — CID 4740710

IUPAC5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESN#CCCN1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C12H21N5O2/c13-5-2-6-16-7-9-17(10-8-16)12(19)4-1-3-11(18)15-14/h1-4,6-10,14H2,(H,15,18)
InChIKeyKQUVIGBPXITKRM-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.80
Rot. Bonds6

About 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide

5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide (PubChem CID 4740710) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide
PubChem CID4740710
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESN#CCCN1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C12H21N5O2/c13-5-2-6-16-7-9-17(10-8-16)12(19)4-1-3-11(18)15-14/h1-4,6-10,14H2,(H,15,18)
InChIKeyKQUVIGBPXITKRM-UHFFFAOYSA-N
XLogP-0.80
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.80
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide?
The IUPAC name of 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide (CID 4740710) is 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide.
What is the SMILES notation for 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide?
The canonical SMILES for 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide is N#CCCN1CCN(C(=O)CCCC(=O)NN)CC1.
What is the InChIKey of 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide?
The InChIKey is KQUVIGBPXITKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-5-2-6-16-7-9-17(10-8-16)12(19)4-1-3-11(18)15-14/h1-4,6-10,14H2,(H,15,18).
What are the key properties of 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide?
5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide has a molecular weight of 267.33 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanehydrazide is sourced from PubChem (CID 4740710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).