[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone

C21H21N3O2S — CID 53119694

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccnc(-c4cccs4)c3)CC2)cc1
InChIInChI=1S/C21H21N3O2S/c1-26-18-6-4-17(5-7-18)23-10-12-24(13-11-23)21(25)16-8-9-22-19(15-16)20-3-2-14-27-20/h2-9,14-15H,10-13H2,1H3
InChIKeyQWGBQYATQHZBBL-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.78
Rot. Bonds4

About [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone (PubChem CID 53119694) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone
PubChem CID53119694
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccnc(-c4cccs4)c3)CC2)cc1
InChIInChI=1S/C21H21N3O2S/c1-26-18-6-4-17(5-7-18)23-10-12-24(13-11-23)21(25)16-8-9-22-19(15-16)20-3-2-14-27-20/h2-9,14-15H,10-13H2,1H3
InChIKeyQWGBQYATQHZBBL-UHFFFAOYSA-N
XLogP3.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-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-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone (CID 53119694) is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone is COc1ccc(N2CCN(C(=O)c3ccnc(-c4cccs4)c3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone?
The InChIKey is QWGBQYATQHZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-26-18-6-4-17(5-7-18)23-10-12-24(13-11-23)21(25)16-8-9-22-19(15-16)20-3-2-14-27-20/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone has a molecular weight of 379.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-yl-4-pyridinyl)methanone is sourced from PubChem (CID 53119694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).