[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone

C12H16N4O — CID 144819088

IUPAC[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESC=C(N)c1ccc(C(=O)N2CCNCC2)nc1
InChIInChI=1S/C12H16N4O/c1-9(13)10-2-3-11(15-8-10)12(17)16-6-4-14-5-7-16/h2-3,8,14H,1,4-7,13H2
InChIKeyVLQBZAHHPXWKBV-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.06
Rot. Bonds2

About [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone

[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 144819088) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID144819088
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESC=C(N)c1ccc(C(=O)N2CCNCC2)nc1
InChIInChI=1S/C12H16N4O/c1-9(13)10-2-3-11(15-8-10)12(17)16-6-4-14-5-7-16/h2-3,8,14H,1,4-7,13H2
InChIKeyVLQBZAHHPXWKBV-UHFFFAOYSA-N
XLogP0.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[5-(benzenesulfinyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 71695163
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
N'-hydroxy-6-[3-[[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]-5-(piperazine-1-carbonyl)phenoxy]pyridine-3-carboximidamide
CID 141280453
[6-[4-[3-(2-methylpropylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 142640737
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 58674992
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 146088221

Frequently Asked Questions

What is the IUPAC name of [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone (CID 144819088) is [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone is C=C(N)c1ccc(C(=O)N2CCNCC2)nc1.
What is the InChIKey of [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is VLQBZAHHPXWKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13)10-2-3-11(15-8-10)12(17)16-6-4-14-5-7-16/h2-3,8,14H,1,4-7,13H2.
What are the key properties of [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone?
[5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 232.29 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminoethenyl)-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 144819088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).