1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C18H19FN4O2 — CID 109209084

IUPAC1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C18H19FN4O2/c1-13(24)22-8-10-23(11-9-22)18(25)17-12-16(6-7-20-17)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyXKPJTSWUFJWVSR-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.27
Rot. Bonds3

About 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209084) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209084
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)cc3)ccn2)CC1
InChIInChI=1S/C18H19FN4O2/c1-13(24)22-8-10-23(11-9-22)18(25)17-12-16(6-7-20-17)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyXKPJTSWUFJWVSR-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209084) is 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)cc3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is XKPJTSWUFJWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-13(24)22-8-10-23(11-9-22)18(25)17-12-16(6-7-20-17)21-15-4-2-14(19)3-5-15/h2-7,12H,8-11H2,1H3,(H,20,21).
What are the key properties of 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 342.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).