4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one

C11H12FN3O2 — CID 55219534

IUPAC4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O2/c1-7-10(16)14-4-5-15(7)11(17)8-2-3-13-9(12)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyHCSOZXWFSQSSPD-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.18
Rot. Bonds1

About 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one

4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one (PubChem CID 55219534) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
PubChem CID55219534
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O2/c1-7-10(16)14-4-5-15(7)11(17)8-2-3-13-9(12)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyHCSOZXWFSQSSPD-UHFFFAOYSA-N
XLogP0.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
(3R)-3-methyl-4-[4-[4-(trifluoromethyl)-2-pyridinyl]benzoyl]piperazin-2-one
CID 126434667
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
4-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methylpiperazin-2-one
CID 118772464
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
3-methyl-4-(4-methylsulfanyl-3-nitrobenzoyl)piperazin-2-one
CID 63373726
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one (CID 55219534) is 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1ccnc(F)c1.
What is the InChIKey of 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is HCSOZXWFSQSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7-10(16)14-4-5-15(7)11(17)8-2-3-13-9(12)6-8/h2-3,6-7H,4-5H2,1H3,(H,14,16).
What are the key properties of 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one?
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 237.23 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 55219534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).