1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

C13H19N3O — CID 81478715

IUPAC1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCC1CNCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C13H19N3O/c1-11-9-15-7-8-16(11)13(17)5-4-12-3-2-6-14-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3
InChIKeyQVAIBHXKFHWVTG-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.83
Rot. Bonds3

About 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 81478715) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID81478715
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCC1CNCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C13H19N3O/c1-11-9-15-7-8-16(11)13(17)5-4-12-3-2-6-14-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3
InChIKeyQVAIBHXKFHWVTG-UHFFFAOYSA-N
XLogP0.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 119470768
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
3-(3,4-dihydroxyphenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;ethane
CID 145342003
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497
1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297474
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (CID 81478715) is 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is CC1CNCCN1C(=O)CCc1cccnc1.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is QVAIBHXKFHWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-9-15-7-8-16(11)13(17)5-4-12-3-2-6-14-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 81478715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).