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

C24H32FN3O3S — CID 11518282

IUPAC2-[(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
SMILESCN(CC(C)(C)O)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12
InChIInChI=1S/C24H32FN3O3S/c1-23(2,30)15-27(3)22(29)18(10-20-14-32-16-26-20)12-28-8-6-24(7-9-28)21-11-19(25)5-4-17(21)13-31-24/h4-5,11,14,16,18,30H,6-10,12-13,15H2,1-3H3
InChIKeyFAZRPIFBVDZBDL-UHFFFAOYSA-N
MW461.60 g/mol
LogP3.19
Rot. Bonds7

About 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

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 (PubChem CID 11518282) has the molecular formula C24H32FN3O3S and a molecular weight of 461.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID11518282
Molecular FormulaC24H32FN3O3S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC Name2-[(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
SMILESCN(CC(C)(C)O)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12
InChIInChI=1S/C24H32FN3O3S/c1-23(2,30)15-27(3)22(29)18(10-20-14-32-16-26-20)12-28-8-6-24(7-9-28)21-11-19(25)5-4-17(21)13-31-24/h4-5,11,14,16,18,30H,6-10,12-13,15H2,1-3H3
InChIKeyFAZRPIFBVDZBDL-UHFFFAOYSA-N
XLogP3.19
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CC(C)(C)O)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12.
What is the InChIKey of 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?
The InChIKey is FAZRPIFBVDZBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3S/c1-23(2,30)15-27(3)22(29)18(10-20-14-32-16-26-20)12-28-8-6-24(7-9-28)21-11-19(25)5-4-17(21)13-31-24/h4-5,11,14,16,18,30H,6-10,12-13,15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 461.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11518282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).