N-(2-cyanoethyl)-2-piperazin-1-ylacetamide

C9H16N4O — CID 18070858

IUPACN-(2-cyanoethyl)-2-piperazin-1-ylacetamide
SMILESN#CCCNC(=O)CN1CCNCC1
InChIInChI=1S/C9H16N4O/c10-2-1-3-12-9(14)8-13-6-4-11-5-7-13/h11H,1,3-8H2,(H,12,14)
InChIKeyUNXZZJDNQWYPCA-UHFFFAOYSA-N
MW196.25 g/mol
LogP-1.08
Rot. Bonds4

About N-(2-cyanoethyl)-2-piperazin-1-ylacetamide

N-(2-cyanoethyl)-2-piperazin-1-ylacetamide (PubChem CID 18070858) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-piperazin-1-ylacetamide
PubChem CID18070858
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-cyanoethyl)-2-piperazin-1-ylacetamide
SMILESN#CCCNC(=O)CN1CCNCC1
InChIInChI=1S/C9H16N4O/c10-2-1-3-12-9(14)8-13-6-4-11-5-7-13/h11H,1,3-8H2,(H,12,14)
InChIKeyUNXZZJDNQWYPCA-UHFFFAOYSA-N
XLogP-1.08
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-piperazin-1-ylacetamide (CID 18070858) is N-(2-cyanoethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-piperazin-1-ylacetamide is N#CCCNC(=O)CN1CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-piperazin-1-ylacetamide?
The InChIKey is UNXZZJDNQWYPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-2-1-3-12-9(14)8-13-6-4-11-5-7-13/h11H,1,3-8H2,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-2-piperazin-1-ylacetamide?
N-(2-cyanoethyl)-2-piperazin-1-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 18070858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).