ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate

C17H24N2O3S — CID 42435345

IUPACethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-22-16(21)19-11-9-18(10-12-19)15(20)17(7-3-4-8-17)14-6-5-13-23-14/h5-6,13H,2-4,7-12H2,1H3
InChIKeyOIJGEACAAYQIAM-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.86
Rot. Bonds3

About ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate

ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate (PubChem CID 42435345) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate
PubChem CID42435345
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Nameethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-2-22-16(21)19-11-9-18(10-12-19)15(20)17(7-3-4-8-17)14-6-5-13-23-14/h5-6,13H,2-4,7-12H2,1H3
InChIKeyOIJGEACAAYQIAM-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate (CID 42435345) is ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate?
The InChIKey is OIJGEACAAYQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-22-16(21)19-11-9-18(10-12-19)15(20)17(7-3-4-8-17)14-6-5-13-23-14/h5-6,13H,2-4,7-12H2,1H3.
What are the key properties of ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate?
ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate has a molecular weight of 336.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 42435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).