1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C19H23N3O — CID 4878361

IUPAC1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-15-6-7-17(16(2)13-15)18(23)14-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMVHNIZAIIADEGH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 4878361) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID4878361
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H23N3O/c1-15-6-7-17(16(2)13-15)18(23)14-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMVHNIZAIIADEGH-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 4878361) is 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1ccc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MVHNIZAIIADEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-6-7-17(16(2)13-15)18(23)14-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4878361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).