2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

C13H23N3O3 — CID 60708215

IUPAC2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)COCC)CC1
InChIInChI=1S/C13H23N3O3/c1-3-5-14-12(17)10-15-6-8-16(9-7-15)13(18)11-19-4-2/h3H,1,4-11H2,2H3,(H,14,17)
InChIKeyIJWOJFNMTOZBQW-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.53
Rot. Bonds7

About 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 60708215) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID60708215
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)COCC)CC1
InChIInChI=1S/C13H23N3O3/c1-3-5-14-12(17)10-15-6-8-16(9-7-15)13(18)11-19-4-2/h3H,1,4-11H2,2H3,(H,14,17)
InChIKeyIJWOJFNMTOZBQW-UHFFFAOYSA-N
XLogP-0.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 60708215) is 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)COCC)CC1.
What is the InChIKey of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is IJWOJFNMTOZBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-5-14-12(17)10-15-6-8-16(9-7-15)13(18)11-19-4-2/h3H,1,4-11H2,2H3,(H,14,17).
What are the key properties of 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 269.34 g/mol, XLogP of -0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 60708215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).