2-piperazin-1-ylacetamide

C6H13N3O — CID 3409342

IUPAC2-piperazin-1-ylacetamide
SMILESNC(=O)CN1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2,(H2,7,10)
InChIKeyVNRJGEMERJZKLQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.62
Rot. Bonds2

About 2-piperazin-1-ylacetamide

2-piperazin-1-ylacetamide (PubChem CID 3409342) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-piperazin-1-ylacetamide
PubChem CID3409342
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-piperazin-1-ylacetamide
SMILESNC(=O)CN1CCNCC1
InChIInChI=1S/C6H13N3O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2,(H2,7,10)
InChIKeyVNRJGEMERJZKLQ-UHFFFAOYSA-N
XLogP-1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetamide?
The IUPAC name of 2-piperazin-1-ylacetamide (CID 3409342) is 2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-piperazin-1-ylacetamide?
The canonical SMILES for 2-piperazin-1-ylacetamide is NC(=O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetamide?
The InChIKey is VNRJGEMERJZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2,(H2,7,10).
What are the key properties of 2-piperazin-1-ylacetamide?
2-piperazin-1-ylacetamide has a molecular weight of 143.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetamide is sourced from PubChem (CID 3409342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).