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

C16H18N4OS — CID 33112393

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H18N4OS/c21-16(14-10-12-2-1-3-13(12)22-14)20-8-6-19(7-9-20)15-11-17-4-5-18-15/h4-5,10-11H,1-3,6-9H2
InChIKeyUJKUMTOXUIJRNW-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.99
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 33112393) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID33112393
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H18N4OS/c21-16(14-10-12-2-1-3-13(12)22-14)20-8-6-19(7-9-20)15-11-17-4-5-18-15/h4-5,10-11H,1-3,6-9H2
InChIKeyUJKUMTOXUIJRNW-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 33112393) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2c(s1)CCC2)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UJKUMTOXUIJRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-16(14-10-12-2-1-3-13(12)22-14)20-8-6-19(7-9-20)15-11-17-4-5-18-15/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 314.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 33112393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).