(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H21N3O — CID 888130

IUPAC(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C
InChIInChI=1S/C18H21N3O/c1-14-6-7-16(13-15(14)2)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyZDTLFICJYUTJDM-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.66
Rot. Bonds2

About (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 888130) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID888130
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C
InChIInChI=1S/C18H21N3O/c1-14-6-7-16(13-15(14)2)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3
InChIKeyZDTLFICJYUTJDM-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 888130) is (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZDTLFICJYUTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-7-16(13-15(14)2)18(22)21-11-9-20(10-12-21)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 888130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).