1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

C12H21ClFN3O3 — CID 110283321

IUPAC1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(CCF)C1=O)N1CCC(O)C1
InChIInChI=1S/C12H20FN3O3.ClH/c13-2-5-15-6-3-14-10(12(15)19)7-11(18)16-4-1-9(17)8-16;/h9-10,14,17H,1-8H2;1H
InChIKeyJUZYAWVNZBNUHP-UHFFFAOYSA-N
MW309.77 g/mol
LogP-0.84
Rot. Bonds4

About 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 110283321) has the molecular formula C12H21ClFN3O3 and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID110283321
Molecular FormulaC12H21ClFN3O3
Molecular Weight309.77 g/mol
Exact Mass309.13
IUPAC Name1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(CCF)C1=O)N1CCC(O)C1
InChIInChI=1S/C12H20FN3O3.ClH/c13-2-5-15-6-3-14-10(12(15)19)7-11(18)16-4-1-9(17)8-16;/h9-10,14,17H,1-8H2;1H
InChIKeyJUZYAWVNZBNUHP-UHFFFAOYSA-N
XLogP-0.84
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (CID 110283321) is 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is Cl.O=C(CC1NCCN(CCF)C1=O)N1CCC(O)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is JUZYAWVNZBNUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O3.ClH/c13-2-5-15-6-3-14-10(12(15)19)7-11(18)16-4-1-9(17)8-16;/h9-10,14,17H,1-8H2;1H.
What are the key properties of 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 309.77 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 110283321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).