N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C22H24FN3O2S — CID 90611206

IUPACN-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)NCCOc4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C22H24FN3O2S/c1-15-2-7-19-20(14-15)29-22(25-19)26-11-8-16(9-12-26)21(27)24-10-13-28-18-5-3-17(23)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,24,27)
InChIKeyAXPZPUOIRBPXEE-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90611206) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID90611206
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)NCCOc4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C22H24FN3O2S/c1-15-2-7-19-20(14-15)29-22(25-19)26-11-8-16(9-12-26)21(27)24-10-13-28-18-5-3-17(23)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,24,27)
InChIKeyAXPZPUOIRBPXEE-UHFFFAOYSA-N
XLogP4.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 90611407
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611356
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90611413
N-(3-methoxypropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128147
1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20886642
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611479
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611566
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611532
N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 122176207
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90611206) is N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(N3CCC(C(=O)NCCOc4ccc(F)cc4)CC3)sc2c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is AXPZPUOIRBPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-15-2-7-19-20(14-15)29-22(25-19)26-11-8-16(9-12-26)21(27)24-10-13-28-18-5-3-17(23)4-6-18/h2-7,14,16H,8-13H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90611206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).