1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

C13H20N4O — CID 82331726

IUPAC1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(N)c(C)n2)CC1
InChIInChI=1S/C13H20N4O/c1-3-13(18)17-8-6-16(7-9-17)12-5-4-11(14)10(2)15-12/h4-5H,3,6-9,14H2,1-2H3
InChIKeyNZWJFIKWUSNTKE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one

1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (PubChem CID 82331726) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
PubChem CID82331726
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(N)c(C)n2)CC1
InChIInChI=1S/C13H20N4O/c1-3-13(18)17-8-6-16(7-9-17)12-5-4-11(14)10(2)15-12/h4-5H,3,6-9,14H2,1-2H3
InChIKeyNZWJFIKWUSNTKE-UHFFFAOYSA-N
XLogP1.03
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 82331730
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502587
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one
CID 102546296
1-[4-[5-(2-hydroxyethyl)-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 102546381

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one (CID 82331726) is 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(N)c(C)n2)CC1.
What is the InChIKey of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
The InChIKey is NZWJFIKWUSNTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-13(18)17-8-6-16(7-9-17)12-5-4-11(14)10(2)15-12/h4-5H,3,6-9,14H2,1-2H3.
What are the key properties of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one?
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 82331726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).