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

C16H23FN4O — CID 138004925

IUPAC1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1
InChIInChI=1S/C16H23FN4O/c1-13-2-3-19(11-13)12-16(22)21-6-4-20(5-7-21)15-8-14(17)9-18-10-15/h8-10,13H,2-7,11-12H2,1H3
InChIKeyFQEZGHPOBVIURE-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.21
Rot. Bonds3

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

1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 138004925) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID138004925
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1
InChIInChI=1S/C16H23FN4O/c1-13-2-3-19(11-13)12-16(22)21-6-4-20(5-7-21)15-8-14(17)9-18-10-15/h8-10,13H,2-7,11-12H2,1H3
InChIKeyFQEZGHPOBVIURE-UHFFFAOYSA-N
XLogP1.21
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 154763216
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 137468280
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 166601787
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136551235
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 166299019
2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
CID 138004927
N-(4-acetamidophenyl)-2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]acetamide
CID 100665806
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 167783334

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone (CID 138004925) is 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone is CC1CCN(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1.
What is the InChIKey of 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is FQEZGHPOBVIURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-13-2-3-19(11-13)12-16(22)21-6-4-20(5-7-21)15-8-14(17)9-18-10-15/h8-10,13H,2-7,11-12H2,1H3.
What are the key properties of 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone?
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 306.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 138004925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).