2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid

C17H17N3O2S — CID 174414931

IUPAC2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1c1cccc2c(-c3cccs3)c[nH]c12
InChIInChI=1S/C17H17N3O2S/c21-17(22)20-7-6-18-10-14(20)12-4-1-3-11-13(9-19-16(11)12)15-5-2-8-23-15/h1-5,8-9,14,18-19H,6-7,10H2,(H,21,22)
InChIKeyGOGCCPXKPRIXTH-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.52
Rot. Bonds2

About 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid

2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid (PubChem CID 174414931) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid
PubChem CID174414931
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1c1cccc2c(-c3cccs3)c[nH]c12
InChIInChI=1S/C17H17N3O2S/c21-17(22)20-7-6-18-10-14(20)12-4-1-3-11-13(9-19-16(11)12)15-5-2-8-23-15/h1-5,8-9,14,18-19H,6-7,10H2,(H,21,22)
InChIKeyGOGCCPXKPRIXTH-UHFFFAOYSA-N
XLogP3.52
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid (CID 174414931) is 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid is O=C(O)N1CCNCC1c1cccc2c(-c3cccs3)c[nH]c12.
What is the InChIKey of 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid?
The InChIKey is GOGCCPXKPRIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-17(22)20-7-6-18-10-14(20)12-4-1-3-11-13(9-19-16(11)12)15-5-2-8-23-15/h1-5,8-9,14,18-19H,6-7,10H2,(H,21,22).
What are the key properties of 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid?
2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-1H-indol-7-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174414931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).