1-(1-pyridin-2-ylpiperazin-2-yl)ethanone

C11H15N3O — CID 157170739

IUPAC1-(1-pyridin-2-ylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CNCCN1c1ccccn1
InChIInChI=1S/C11H15N3O/c1-9(15)10-8-12-6-7-14(10)11-4-2-3-5-13-11/h2-5,10,12H,6-8H2,1H3
InChIKeyANKXKOOBJRZSER-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.45
Rot. Bonds2

About 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone

1-(1-pyridin-2-ylpiperazin-2-yl)ethanone (PubChem CID 157170739) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-pyridin-2-ylpiperazin-2-yl)ethanone
PubChem CID157170739
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(1-pyridin-2-ylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CNCCN1c1ccccn1
InChIInChI=1S/C11H15N3O/c1-9(15)10-8-12-6-7-14(10)11-4-2-3-5-13-11/h2-5,10,12H,6-8H2,1H3
InChIKeyANKXKOOBJRZSER-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
CID 97055411
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646293
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509
N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
CID 66328891
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
N-methyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperazine-2-carboxamide
CID 115372790
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
1-[1-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-yl]ethanone
CID 69074430

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone (CID 157170739) is 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone is CC(=O)C1CNCCN1c1ccccn1.
What is the InChIKey of 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone?
The InChIKey is ANKXKOOBJRZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(15)10-8-12-6-7-14(10)11-4-2-3-5-13-11/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone?
1-(1-pyridin-2-ylpiperazin-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylpiperazin-2-yl)ethanone is sourced from PubChem (CID 157170739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).