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

C15H24N4O — CID 82331730

IUPAC1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O/c1-11-12(16)5-6-13(17-11)18-7-9-19(10-8-18)14(20)15(2,3)4/h5-6H,7-10,16H2,1-4H3
InChIKeyLNGQBCBIMDVZDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.67
Rot. Bonds1

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

1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 82331730) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID82331730
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1N
InChIInChI=1S/C15H24N4O/c1-11-12(16)5-6-13(17-11)18-7-9-19(10-8-18)14(20)15(2,3)4/h5-6H,7-10,16H2,1-4H3
InChIKeyLNGQBCBIMDVZDX-UHFFFAOYSA-N
XLogP1.67
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.67
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]propan-1-one
CID 82331726
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
[(2R)-4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174591422
2,2-dimethyl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]propan-1-one
CID 126853225
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 67371513
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyridin-3-amine
CID 67208586
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 82331730) is 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1N.
What is the InChIKey of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is LNGQBCBIMDVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-12(16)5-6-13(17-11)18-7-9-19(10-8-18)14(20)15(2,3)4/h5-6H,7-10,16H2,1-4H3.
What are the key properties of 1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.67, 1 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]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 82331730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).