4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one

C10H12FN3O — CID 126776361

IUPAC4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2ncccc2F)CC1=O
InChIInChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3
InChIKeyLOFSFVFRUNIULW-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.50
Rot. Bonds1

About 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one

4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one (PubChem CID 126776361) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one
PubChem CID126776361
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2ncccc2F)CC1=O
InChIInChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3
InChIKeyLOFSFVFRUNIULW-UHFFFAOYSA-N
XLogP0.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one (CID 126776361) is 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one is CN1CCN(c2ncccc2F)CC1=O.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one?
The InChIKey is LOFSFVFRUNIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3.
What are the key properties of 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one?
4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one has a molecular weight of 209.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 126776361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).