6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C18H20FN3O2 — CID 74247706

IUPAC6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-2-14-11-13(12-17(23)20-14)18(24)22-9-7-21(8-10-22)16-6-4-3-5-15(16)19/h3-6,11-12H,2,7-10H2,1H3,(H,20,23)
InChIKeyJIDMKEIARASSFR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.04
Rot. Bonds3

About 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one

6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 74247706) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID74247706
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-2-14-11-13(12-17(23)20-14)18(24)22-9-7-21(8-10-22)16-6-4-3-5-15(16)19/h3-6,11-12H,2,7-10H2,1H3,(H,20,23)
InChIKeyJIDMKEIARASSFR-UHFFFAOYSA-N
XLogP2.04
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 110700048
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135933178
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 36840255

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 74247706) is 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one is CCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is JIDMKEIARASSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-14-11-13(12-17(23)20-14)18(24)22-9-7-21(8-10-22)16-6-4-3-5-15(16)19/h3-6,11-12H,2,7-10H2,1H3,(H,20,23).
What are the key properties of 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 329.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 74247706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).