3-thiophen-3-ylpiperazine-1-carboxylic acid

C9H12N2O2S — CID 19763573

IUPAC3-thiophen-3-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2ccsc2)C1
InChIInChI=1S/C9H12N2O2S/c12-9(13)11-3-2-10-8(5-11)7-1-4-14-6-7/h1,4,6,8,10H,2-3,5H2,(H,12,13)
InChIKeyROZDROOPBLAJTQ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.37
Rot. Bonds1

About 3-thiophen-3-ylpiperazine-1-carboxylic acid

3-thiophen-3-ylpiperazine-1-carboxylic acid (PubChem CID 19763573) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-thiophen-3-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-3-ylpiperazine-1-carboxylic acid
PubChem CID19763573
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-thiophen-3-ylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC(c2ccsc2)C1
InChIInChI=1S/C9H12N2O2S/c12-9(13)11-3-2-10-8(5-11)7-1-4-14-6-7/h1,4,6,8,10H,2-3,5H2,(H,12,13)
InChIKeyROZDROOPBLAJTQ-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpiperazine-1-carboxylic acid?
The IUPAC name of 3-thiophen-3-ylpiperazine-1-carboxylic acid (CID 19763573) is 3-thiophen-3-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 3-thiophen-3-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 3-thiophen-3-ylpiperazine-1-carboxylic acid is O=C(O)N1CCNC(c2ccsc2)C1.
What is the InChIKey of 3-thiophen-3-ylpiperazine-1-carboxylic acid?
The InChIKey is ROZDROOPBLAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(13)11-3-2-10-8(5-11)7-1-4-14-6-7/h1,4,6,8,10H,2-3,5H2,(H,12,13).
What are the key properties of 3-thiophen-3-ylpiperazine-1-carboxylic acid?
3-thiophen-3-ylpiperazine-1-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 19763573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).