2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide

C9H17N3O — CID 8893273

IUPAC2-piperazin-1-yl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNCC1
InChIInChI=1S/C9H17N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h2,10H,1,3-8H2,(H,11,13)
InChIKeyJCJNDVCPEKLBEG-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.40
Rot. Bonds4

About 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide (PubChem CID 8893273) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
PubChem CID8893273
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-piperazin-1-yl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNCC1
InChIInChI=1S/C9H17N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h2,10H,1,3-8H2,(H,11,13)
InChIKeyJCJNDVCPEKLBEG-UHFFFAOYSA-N
XLogP-0.40
TPSA44.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity176

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide?
The IUPAC name of 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide (CID 8893273) is 2-piperazin-1-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide?
The canonical SMILES for 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide is C=CCNC(=O)CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide?
The InChIKey is JCJNDVCPEKLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h2,10H,1,3-8H2,(H,11,13).
What are the key properties of 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide?
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide has a molecular weight of 183.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide is sourced from PubChem (CID 8893273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).