1-(5-piperazin-1-yl-2-pyridinyl)ethanone

C11H15N3O — CID 79020099

IUPAC1-(5-piperazin-1-yl-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-3-2-10(8-13-11)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
InChIKeyZYJZLQKQKNGNMH-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.69
Rot. Bonds2

About 1-(5-piperazin-1-yl-2-pyridinyl)ethanone

1-(5-piperazin-1-yl-2-pyridinyl)ethanone (PubChem CID 79020099) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5-piperazin-1-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-piperazin-1-yl-2-pyridinyl)ethanone
PubChem CID79020099
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(5-piperazin-1-yl-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C11H15N3O/c1-9(15)11-3-2-10(8-13-11)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3
InChIKeyZYJZLQKQKNGNMH-UHFFFAOYSA-N
XLogP0.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
N-methyl-1-(5-piperazin-1-yl-2-pyridinyl)ethenamine
CID 169189713
1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
N-[(2R)-1-hydroxypropan-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082435
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
1-[5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]ethanone
CID 114410234
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
N-[(3S)-2-oxopiperidin-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171564714
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperazin-1-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-piperazin-1-yl-2-pyridinyl)ethanone (CID 79020099) is 1-(5-piperazin-1-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-piperazin-1-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-piperazin-1-yl-2-pyridinyl)ethanone is CC(=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of 1-(5-piperazin-1-yl-2-pyridinyl)ethanone?
The InChIKey is ZYJZLQKQKNGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(15)11-3-2-10(8-13-11)14-6-4-12-5-7-14/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 1-(5-piperazin-1-yl-2-pyridinyl)ethanone?
1-(5-piperazin-1-yl-2-pyridinyl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperazin-1-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 79020099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).