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

C21H28ClN3O3S — CID 20943115

IUPAC1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C21H28ClN3O3S/c1-14(2)8-11-23-21(26)17-9-12-25(13-10-17)20-15(3)19(29(27,28)24-20)16-4-6-18(22)7-5-16/h4-7,14,17H,8-13H2,1-3H3,(H,23,26)
InChIKeyPWXIWHLMKGMKME-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.69
Rot. Bonds5

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

1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 20943115) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID20943115
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C21H28ClN3O3S/c1-14(2)8-11-23-21(26)17-9-12-25(13-10-17)20-15(3)19(29(27,28)24-20)16-4-6-18(22)7-5-16/h4-7,14,17H,8-13H2,1-3H3,(H,23,26)
InChIKeyPWXIWHLMKGMKME-UHFFFAOYSA-N
XLogP3.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide 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

1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46338206
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-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20943072
1-[1-[5-(4-ethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-(3-methylbutyl)urea
CID 53187016
5-(4-chlorophenyl)-4-methyl-3-pyrrolidin-1-yl-1,2-thiazole 1,1-dioxide
CID 22512110
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-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 46338229
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 22512467
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943077
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 53171326

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 20943115) is 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is PWXIWHLMKGMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-14(2)8-11-23-21(26)17-9-12-25(13-10-17)20-15(3)19(29(27,28)24-20)16-4-6-18(22)7-5-16/h4-7,14,17H,8-13H2,1-3H3,(H,23,26).
What are the key properties of 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 437.99 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 20943115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).