1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

C12H20FN3O3 — CID 110283326

IUPAC1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESO=C(CC1NCCN(CCF)C1=O)N1CCOCC1
InChIInChI=1S/C12H20FN3O3/c13-1-3-16-4-2-14-10(12(16)18)9-11(17)15-5-7-19-8-6-15/h10,14H,1-9H2
InChIKeyYPLBCZGEGVSIQU-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.99
Rot. Bonds4

About 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (PubChem CID 110283326) has the molecular formula C12H20FN3O3 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
PubChem CID110283326
Molecular FormulaC12H20FN3O3
Molecular Weight273.31 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESO=C(CC1NCCN(CCF)C1=O)N1CCOCC1
InChIInChI=1S/C12H20FN3O3/c13-1-3-16-4-2-14-10(12(16)18)9-11(17)15-5-7-19-8-6-15/h10,14H,1-9H2
InChIKeyYPLBCZGEGVSIQU-UHFFFAOYSA-N
XLogP-0.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
1-(Morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
CID 16769381
2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
CID 25283128
2-(4,4-Difluoropiperidin-1-yl)-3-morpholin-4-ylbutanediamide
CID 90842158
3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-2-one
CID 63602259
1-Morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
6-Ethyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64875257
3-Ethyl-6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64902592
3,6-Diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64902790
N-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2-carboxamide
CID 65819524

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (CID 110283326) is 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is O=C(CC1NCCN(CCF)C1=O)N1CCOCC1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The InChIKey is YPLBCZGEGVSIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O3/c13-1-3-16-4-2-14-10(12(16)18)9-11(17)15-5-7-19-8-6-15/h10,14H,1-9H2.
What are the key properties of 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one has a molecular weight of 273.31 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is sourced from PubChem (CID 110283326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).