(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone

C12H17N3O — CID 63911767

IUPAC(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CNCC(C)N1C(=O)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9-7-13-8-10(2)15(9)12(16)11-5-3-4-6-14-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyXKFLCNAZKHPLOQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.90
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone

(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone (PubChem CID 63911767) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
PubChem CID63911767
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CNCC(C)N1C(=O)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9-7-13-8-10(2)15(9)12(16)11-5-3-4-6-14-11/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyXKFLCNAZKHPLOQ-UHFFFAOYSA-N
XLogP0.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763799
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243120
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
azetidin-3-yl pyridine-2-carboxylate
CID 130016226
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63908832
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 63910984

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone (CID 63911767) is (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone is CC1CNCC(C)N1C(=O)c1ccccn1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is XKFLCNAZKHPLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-13-8-10(2)15(9)12(16)11-5-3-4-6-14-11/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone?
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 219.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 63911767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).