(3-thiophen-3-ylpiperazin-1-yl) formate

C9H12N2O2S — CID 57212730

IUPAC(3-thiophen-3-ylpiperazin-1-yl) formate
SMILESO=CON1CCNC(c2ccsc2)C1
InChIInChI=1S/C9H12N2O2S/c12-7-13-11-3-2-10-9(5-11)8-1-4-14-6-8/h1,4,6-7,9-10H,2-3,5H2
InChIKeyHQSPPIFRUIFSLW-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.78
Rot. Bonds3

About (3-thiophen-3-ylpiperazin-1-yl) formate

(3-thiophen-3-ylpiperazin-1-yl) formate (PubChem CID 57212730) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (3-thiophen-3-ylpiperazin-1-yl) formate.

Molecular Properties

Compound Name(3-thiophen-3-ylpiperazin-1-yl) formate
PubChem CID57212730
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(3-thiophen-3-ylpiperazin-1-yl) formate
SMILESO=CON1CCNC(c2ccsc2)C1
InChIInChI=1S/C9H12N2O2S/c12-7-13-11-3-2-10-9(5-11)8-1-4-14-6-8/h1,4,6-7,9-10H,2-3,5H2
InChIKeyHQSPPIFRUIFSLW-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-thiophen-3-ylaziridine
CID 172991225
3-thiophen-3-ylmorpholine
CID 54298164
2-thiophen-3-ylpiperidin-4-amine
CID 165483670
3-thiophen-3-ylpiperazin-2-one
CID 62352453
5-methyl-3-(1-methylpiperidin-4-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83243425
1-chloro-3-phenylpiperazine
CID 18428014
5-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83252600
5-methyl-3-(1-methylpiperidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255677
3-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 114506900
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
2-methyl-3-thiophen-3-yl-1,4-thiazinane 1,1-dioxide
CID 130756609

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-3-ylpiperazin-1-yl) formate?
The IUPAC name of (3-thiophen-3-ylpiperazin-1-yl) formate (CID 57212730) is (3-thiophen-3-ylpiperazin-1-yl) formate.
What is the SMILES notation for (3-thiophen-3-ylpiperazin-1-yl) formate?
The canonical SMILES for (3-thiophen-3-ylpiperazin-1-yl) formate is O=CON1CCNC(c2ccsc2)C1.
What is the InChIKey of (3-thiophen-3-ylpiperazin-1-yl) formate?
The InChIKey is HQSPPIFRUIFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-7-13-11-3-2-10-9(5-11)8-1-4-14-6-8/h1,4,6-7,9-10H,2-3,5H2.
What are the key properties of (3-thiophen-3-ylpiperazin-1-yl) formate?
(3-thiophen-3-ylpiperazin-1-yl) formate has a molecular weight of 212.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-ylpiperazin-1-yl) formate is sourced from PubChem (CID 57212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).