pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone

C13H19N3O — CID 82243120

IUPACpyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CNC(C)(C)CN1C(=O)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10-8-15-13(2,3)9-16(10)12(17)11-6-4-5-7-14-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyJNZJKZJTIMQXNZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.29
Rot. Bonds1

About pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone

pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone (PubChem CID 82243120) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
PubChem CID82243120
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namepyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CNC(C)(C)CN1C(=O)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-10-8-15-13(2,3)9-16(10)12(17)11-6-4-5-7-14-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyJNZJKZJTIMQXNZ-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
(3S,5S)-5-methyl-4-(pyridine-2-carbonyl)morpholine-3-carboxylic acid
CID 122155565
2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82251019
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
[(5R)-3-methyl-6-azabicyclo[3.1.1]heptan-6-yl]-pyridin-2-ylmethanone
CID 176763799
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 71256287
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 64978517
methyl (2S,3S)-3-methyl-1-(pyridine-2-carbonyl)azetidine-2-carboxylate
CID 122462282
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone (CID 82243120) is pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone is CC1CNC(C)(C)CN1C(=O)c1ccccn1.
What is the InChIKey of pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is JNZJKZJTIMQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-8-15-13(2,3)9-16(10)12(17)11-6-4-5-7-14-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone?
pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-(2,5,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82243120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).