N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide

C21H28FN3O4S — CID 20943213

IUPACN-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1
InChIInChI=1S/C21H28FN3O4S/c1-3-29-14-4-11-23-21(26)17-9-12-25(13-10-17)20-15(2)19(30(27,28)24-20)16-5-7-18(22)8-6-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,23,26)
InChIKeyWHIZDOTYAXUUOH-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.55
Rot. Bonds7

About N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide (PubChem CID 20943213) has the molecular formula C21H28FN3O4S and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
PubChem CID20943213
Molecular FormulaC21H28FN3O4S
Molecular Weight437.54 g/mol
Exact Mass437.18
IUPAC NameN-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1
InChIInChI=1S/C21H28FN3O4S/c1-3-29-14-4-11-23-21(26)17-9-12-25(13-10-17)20-15(2)19(30(27,28)24-20)16-5-7-18(22)8-6-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,23,26)
InChIKeyWHIZDOTYAXUUOH-UHFFFAOYSA-N
XLogP2.55
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.55
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-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46338211
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53005507
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46338206
1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20943115
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 46338229
N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
5-(4-fluorophenyl)-4-methyl-3-piperidin-1-yl-1,2-thiazole 1,1-dioxide
CID 20934698
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 20943098
1-(3-methoxypropyl)-3-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187001
1-butan-2-yl-3-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187039
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20887485

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide (CID 20943213) is N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The InChIKey is WHIZDOTYAXUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O4S/c1-3-29-14-4-11-23-21(26)17-9-12-25(13-10-17)20-15(2)19(30(27,28)24-20)16-5-7-18(22)8-6-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20943213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).