2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide

C11H18FN3O2 — CID 110283386

IUPAC2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C11H18FN3O2/c1-2-4-14-10(16)8-9-11(17)15(6-3-12)7-5-13-9/h2,9,13H,1,3-8H2,(H,14,16)
InChIKeyOQGWRILWMWOUBZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.55
Rot. Bonds6

About 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide

2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide (PubChem CID 110283386) has the molecular formula C11H18FN3O2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
PubChem CID110283386
Molecular FormulaC11H18FN3O2
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1NCCN(CCF)C1=O
InChIInChI=1S/C11H18FN3O2/c1-2-4-14-10(16)8-9-11(17)15(6-3-12)7-5-13-9/h2,9,13H,1,3-8H2,(H,14,16)
InChIKeyOQGWRILWMWOUBZ-UHFFFAOYSA-N
XLogP-0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.55
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-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide (CID 110283386) is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CC1NCCN(CCF)C1=O.
What is the InChIKey of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
The InChIKey is OQGWRILWMWOUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2/c1-2-4-14-10(16)8-9-11(17)15(6-3-12)7-5-13-9/h2,9,13H,1,3-8H2,(H,14,16).
What are the key properties of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide?
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide has a molecular weight of 243.28 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 110283386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).