2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone

C13H20N4O — CID 61018269

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccncc1
InChIInChI=1S/C13H20N4O/c1-16(10-12-2-4-14-5-3-12)11-13(18)17-8-6-15-7-9-17/h2-5,15H,6-11H2,1H3
InChIKeyCFUMBIFQNKAGFG-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.05
Rot. Bonds4

About 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61018269) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
PubChem CID61018269
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccncc1
InChIInChI=1S/C13H20N4O/c1-16(10-12-2-4-14-5-3-12)11-13(18)17-8-6-15-7-9-17/h2-5,15H,6-11H2,1H3
InChIKeyCFUMBIFQNKAGFG-UHFFFAOYSA-N
XLogP-0.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 164691194
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 86286733
2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 104869182
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone (CID 61018269) is 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is CFUMBIFQNKAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(10-12-2-4-14-5-3-12)11-13(18)17-8-6-15-7-9-17/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).