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

C20H24N2O2S — CID 2349366

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C20H24N2O2S/c1-2-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20(23)19-14-15-6-5-9-18(15)25-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyQZXWMCOYODEWLH-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.60
Rot. Bonds4

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2349366) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID2349366
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C20H24N2O2S/c1-2-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20(23)19-14-15-6-5-9-18(15)25-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyQZXWMCOYODEWLH-UHFFFAOYSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 2349366) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QZXWMCOYODEWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-24-17-8-4-3-7-16(17)21-10-12-22(13-11-21)20(23)19-14-15-6-5-9-18(15)25-19/h3-4,7-8,14H,2,5-6,9-13H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.60, 4 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-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2349366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).