[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone

C20H25N3O2 — CID 2528804

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-4-25-19-17(8-6-10-21-19)20(24)23-13-11-22(12-14-23)18-9-5-7-15(2)16(18)3/h5-10H,4,11-14H2,1-3H3
InChIKeyOTCHJOBVLGVOGD-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.06
Rot. Bonds4

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone (PubChem CID 2528804) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
PubChem CID2528804
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-4-25-19-17(8-6-10-21-19)20(24)23-13-11-22(12-14-23)18-9-5-7-15(2)16(18)3/h5-10H,4,11-14H2,1-3H3
InChIKeyOTCHJOBVLGVOGD-UHFFFAOYSA-N
XLogP3.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)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 [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone (CID 2528804) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone is CCOc1ncccc1C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The InChIKey is OTCHJOBVLGVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-25-19-17(8-6-10-21-19)20(24)23-13-11-22(12-14-23)18-9-5-7-15(2)16(18)3/h5-10H,4,11-14H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 2528804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).