1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

C14H24FN3O2 — CID 110283330

IUPAC1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC1CCN(C(=O)CC2NCCN(CCF)C2=O)CC1
InChIInChI=1S/C14H24FN3O2/c1-11-2-6-17(7-3-11)13(19)10-12-14(20)18(8-4-15)9-5-16-12/h11-12,16H,2-10H2,1H3
InChIKeyPRWYCDLPZDOYLP-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.40
Rot. Bonds4

About 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 110283330) has the molecular formula C14H24FN3O2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID110283330
Molecular FormulaC14H24FN3O2
Molecular Weight285.36 g/mol
Exact Mass285.19
IUPAC Name1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC1CCN(C(=O)CC2NCCN(CCF)C2=O)CC1
InChIInChI=1S/C14H24FN3O2/c1-11-2-6-17(7-3-11)13(19)10-12-14(20)18(8-4-15)9-5-16-12/h11-12,16H,2-10H2,1H3
InChIKeyPRWYCDLPZDOYLP-UHFFFAOYSA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (CID 110283330) is 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is CC1CCN(C(=O)CC2NCCN(CCF)C2=O)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is PRWYCDLPZDOYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O2/c1-11-2-6-17(7-3-11)13(19)10-12-14(20)18(8-4-15)9-5-16-12/h11-12,16H,2-10H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 285.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 110283330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).