5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C19H22N2O2S — CID 2566372

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)19(22)18-13-14-5-4-8-17(14)24-18/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyGLAOCXAZECLJMA-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.21
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2566372) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2566372
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)19(22)18-13-14-5-4-8-17(14)24-18/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyGLAOCXAZECLJMA-UHFFFAOYSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-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 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2566372) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GLAOCXAZECLJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-16-7-3-2-6-15(16)20-9-11-21(12-10-20)19(22)18-13-14-5-4-8-17(14)24-18/h2-3,6-7,13H,4-5,8-12H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2566372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).