pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone

C13H19N3O — CID 82243127

IUPACpyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)(C)CN1
InChIInChI=1S/C13H19N3O/c1-10-8-16(13(2,3)9-15-10)12(17)11-5-4-6-14-7-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyXFUSBTZIKSCJJQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.29
Rot. Bonds1

About pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone

pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone (PubChem CID 82243127) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
PubChem CID82243127
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namepyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2)C(C)(C)CN1
InChIInChI=1S/C13H19N3O/c1-10-8-16(13(2,3)9-15-10)12(17)11-5-4-6-14-7-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyXFUSBTZIKSCJJQ-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

Analyze pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82246999
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
CID 117050381
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
3-methyl-5-(pyridine-3-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 43837352
(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
CID 14155741
[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 10313453

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone (CID 82243127) is pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccnc2)C(C)(C)CN1.
What is the InChIKey of pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is XFUSBTZIKSCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-8-16(13(2,3)9-15-10)12(17)11-5-4-6-14-7-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone?
pyridin-3-yl-(2,2,5-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-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 82243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).