2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone

C18H21FN4O2 — CID 138004927

IUPAC2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
SMILESCCOc1cccc(CC(=O)N2CCN(c3cncc(F)c3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-2-25-17-5-3-4-15(21-17)11-18(24)23-8-6-22(7-9-23)16-10-14(19)12-20-13-16/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyRRFPFFNIERUVNH-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.91
Rot. Bonds5

About 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone

2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 138004927) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
PubChem CID138004927
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
SMILESCCOc1cccc(CC(=O)N2CCN(c3cncc(F)c3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c1-2-25-17-5-3-4-15(21-17)11-18(24)23-8-6-22(7-9-23)16-10-14(19)12-20-13-16/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyRRFPFFNIERUVNH-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 138004925
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 166299019
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133464156
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110374714
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133470597
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone (CID 138004927) is 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone is CCOc1cccc(CC(=O)N2CCN(c3cncc(F)c3)CC2)n1.
What is the InChIKey of 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is RRFPFFNIERUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-2-25-17-5-3-4-15(21-17)11-18(24)23-8-6-22(7-9-23)16-10-14(19)12-20-13-16/h3-5,10,12-13H,2,6-9,11H2,1H3.
What are the key properties of 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone?
2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138004927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).