Molecules/(3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

(3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

C31H33NO3S499.70 g/molCID 68194743

Compare

Molecular Identity

(3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

PubChem CID: 68194743

2D Structure

Properties

C₃₁H₃₃NO₃S

Molecular Formula

499.70

Molecular Weight

g/mol

499.2181

Exact Mass

3.9

XLogP

Drug-like (Lipinski: < 5)

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

801

Complexity

SMILES

Canonical SMILES

SMILES: CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CCC5=CC=CC=C54)CC3

Isomeric SMILES

SMILES: CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CCC5=CC=CC=C54)CC3

Synonyms(16)

1309435-78-6LY2922083(3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acidCHEMBL4787498orb1700043SCHEMBL12005418DTXSID501102707GLXC-22838BDBM50563863AKOS040748838(S)-3-(4-((5-((2,3-dihydrospiro[indene-1,4'-piperidin]-1'-yl)methyl)thiophen-2-yl)methoxy)phenyl)hex-4-ynoic acidPD201601HY-117978T27938Benzenepropanoic acid, 4-[[5-[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)methyl]-2-thienyl]methoxy]-beta-1-propyn-1-yl-, (betaS)-

Data from PubChem (NCBI)

This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.

Molecular Structure

(3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

Loading structure...

Source: PubChem

Drug Network

Trials and conditions connected to (3S)-3-[4-[[5-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid

Loading drug network...