2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide

C22H28FN3O2S — CID 11509941

IUPAC2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
SMILESCC1OC2(CCN(CC(Cc3cscn3)C(=O)N(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H28FN3O2S/c1-15-19-5-4-17(23)11-20(19)22(28-15)6-8-26(9-7-22)12-16(21(27)25(2)3)10-18-13-29-14-24-18/h4-5,11,13-16H,6-10,12H2,1-3H3
InChIKeyVYRFSWWZYQKWKR-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.61
Rot. Bonds5

About 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide

2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 11509941) has the molecular formula C22H28FN3O2S and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
PubChem CID11509941
Molecular FormulaC22H28FN3O2S
Molecular Weight417.55 g/mol
Exact Mass417.19
IUPAC Name2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
SMILESCC1OC2(CCN(CC(Cc3cscn3)C(=O)N(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H28FN3O2S/c1-15-19-5-4-17(23)11-20(19)22(28-15)6-8-26(9-7-22)12-16(21(27)25(2)3)10-18-13-29-14-24-18/h4-5,11,13-16H,6-10,12H2,1-3H3
InChIKeyVYRFSWWZYQKWKR-UHFFFAOYSA-N
XLogP3.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11315651
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide
CID 164630900
2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11517295
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11518282
2-[(1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(1,3-thiazol-4-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 11518727
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(1,3-thiazol-4-yl)propan-1-one
CID 11547099
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-1-(3-hydroxy-3-methylazetidin-1-yl)-3-(1,3-thiazol-4-yl)propan-1-one
CID 11583131
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-methoxy-2-methylpropyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11583734
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-hydroxyethyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11597233
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-methoxyethyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 11597516
1-(azetidin-1-yl)-2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 11618536
2-(Spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylmethyl)-3-(1,3-thiazol-4-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 11656039

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide (CID 11509941) is 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide is CC1OC2(CCN(CC(Cc3cscn3)C(=O)N(C)C)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is VYRFSWWZYQKWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2S/c1-15-19-5-4-17(23)11-20(19)22(28-15)6-8-26(9-7-22)12-16(21(27)25(2)3)10-18-13-29-14-24-18/h4-5,11,13-16H,6-10,12H2,1-3H3.
What are the key properties of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide?
2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 417.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 11509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).