4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one

C11H12FN3O2 — CID 64680303

IUPAC4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccnc(F)c2)CC1=O
InChIInChI=1S/C11H12FN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyZWGQFOPVKVPEIX-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.13
Rot. Bonds1

About 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one

4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one (PubChem CID 64680303) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
PubChem CID64680303
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccnc(F)c2)CC1=O
InChIInChI=1S/C11H12FN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyZWGQFOPVKVPEIX-UHFFFAOYSA-N
XLogP0.13
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
4-(3-fluoro-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64680099
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one (CID 64680303) is 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccnc(F)c2)CC1=O.
What is the InChIKey of 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is ZWGQFOPVKVPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-14-4-5-15(7-10(14)16)11(17)8-2-3-13-9(12)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one?
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 237.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).