4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid

C20H22N2O2S — CID 58913296

IUPAC4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid
SMILESO=C(O)C(CCN1CCC2(C=Cc3ccccc32)CC1)c1cscn1
InChIInChI=1S/C20H22N2O2S/c23-19(24)16(18-13-25-14-21-18)6-10-22-11-8-20(9-12-22)7-5-15-3-1-2-4-17(15)20/h1-5,7,13-14,16H,6,8-12H2,(H,23,24)
InChIKeyGTXMXJKHISXCJB-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.76
Rot. Bonds5

About 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid

4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid (PubChem CID 58913296) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid
PubChem CID58913296
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid
SMILESO=C(O)C(CCN1CCC2(C=Cc3ccccc32)CC1)c1cscn1
InChIInChI=1S/C20H22N2O2S/c23-19(24)16(18-13-25-14-21-18)6-10-22-11-8-20(9-12-22)7-5-15-3-1-2-4-17(15)20/h1-5,7,13-14,16H,6,8-12H2,(H,23,24)
InChIKeyGTXMXJKHISXCJB-UHFFFAOYSA-N
XLogP3.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic 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 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid (CID 58913296) is 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid is O=C(O)C(CCN1CCC2(C=Cc3ccccc32)CC1)c1cscn1.
What is the InChIKey of 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid?
The InChIKey is GTXMXJKHISXCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19(24)16(18-13-25-14-21-18)6-10-22-11-8-20(9-12-22)7-5-15-3-1-2-4-17(15)20/h1-5,7,13-14,16H,6,8-12H2,(H,23,24).
What are the key properties of 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid?
4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid has a molecular weight of 354.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[indene-1,4'-piperidine]-1'-yl-2-(1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 58913296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).