1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one

C13H19N3O — CID 18715054

IUPAC1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-4-3-5-14-10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyLXQMQZYKRAGICF-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.96
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one

1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one (PubChem CID 18715054) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
PubChem CID18715054
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
SMILESCC(C(=O)N1CCN(C)CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-11(12-4-3-5-14-10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10-11H,6-9H2,1-2H3
InChIKeyLXQMQZYKRAGICF-UHFFFAOYSA-N
XLogP0.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one 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

2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128992347
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120809621
(2S)-1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 97248115
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 10575390
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
(2S)-2-(1-benzofuran-2-yl)-1-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99818316
3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82121004
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one (CID 18715054) is 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one is CC(C(=O)N1CCN(C)CC1)c1cccnc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one?
The InChIKey is LXQMQZYKRAGICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(12-4-3-5-14-10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one?
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one has a molecular weight of 233.32 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 18715054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).