oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate

C13H21FN2O4 — CID 110283312

IUPACoxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1NCCN(CCF)C1=O)OCC1CCCO1
InChIInChI=1S/C13H21FN2O4/c14-3-5-16-6-4-15-11(13(16)18)8-12(17)20-9-10-2-1-7-19-10/h10-11,15H,1-9H2
InChIKeyQWKGEFAQEQXPRV-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.13
Rot. Bonds6

About oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate

oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 110283312) has the molecular formula C13H21FN2O4 and a molecular weight of 288.32 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
PubChem CID110283312
Molecular FormulaC13H21FN2O4
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Nameoxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
SMILESO=C(CC1NCCN(CCF)C1=O)OCC1CCCO1
InChIInChI=1S/C13H21FN2O4/c14-3-5-16-6-4-15-11(13(16)18)8-12(17)20-9-10-2-1-7-19-10/h10-11,15H,1-9H2
InChIKeyQWKGEFAQEQXPRV-UHFFFAOYSA-N
XLogP-0.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate (CID 110283312) is oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate is O=C(CC1NCCN(CCF)C1=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is QWKGEFAQEQXPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O4/c14-3-5-16-6-4-15-11(13(16)18)8-12(17)20-9-10-2-1-7-19-10/h10-11,15H,1-9H2.
What are the key properties of oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate?
oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 288.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 110283312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).